Alternatives to NMR Predictors
Compare NMR Predictors alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to NMR Predictors in 2026. Compare features, ratings, user reviews, pricing, and more from NMR Predictors competitors and alternatives in order to make an informed decision for your business.
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SDS Manager
SDS Manager
SDS Manager is a leading provider of Safety Data Sheet (SDS) management systems, offering one of the largest SDS databases with over 14 million documents available in 25 languages. With SDS Manager, employees can easily access Safety Data Sheets directly from their mobile devices by scanning QR code posters placed in work areas where chemicals are used, enhancing safety and compliance in the workplace. Our automated data extraction feature allows you to add SDS files to your library with zero typing required, streamlining the process and ensuring accuracy. The one-click Secondary Container Labeling provides an efficient solution for enhancing safety and regulatory compliance Receive alerts on restricted substances in the chemicals you utilize, including those listed under REACH - ECHA, California Proposition 65, ZDHC, and more. The Chemical Risk Assessment function is designed to evaluate and manage the risks associated with handling and storing chemicals. -
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Chemical Safety Software
SFS Chemical Safety
Chemical Safety offers a comprehensive suite of environmental health and safety software applications. Features include GHS Labeling, Safety Data Sheets, Chemical Inventory Tracking, Hazardous Waste Management, Environmental Regulatory Reporting, and Employee Workplace Safety & Compliance. Everything you need to track your chemical inventory and hazardous waste from beginning to end. EMS addresses all of the special issues associated with storing, using, and disposing of hazardous materials. Safety Data Sheets: Manage and Distribute SDS's Online. A cloud-based safety data sheet management solution. Easy online access for all employees. Monitor and manage all aspects of employee and workplace safety including safe storage and use of chemicals, alerts and notifications, employee training requirements and site incident tracking with corrective actions. -
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BIOVIA TURBOMOLE
Dassault Systèmes
BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations. -
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NMR Workbook Suite
ACD/Labs
Process, analyze and assemble all your 1D and 2D NMR data. ACD/NMR Workbook Suite is a comprehensive NMR software application. It features a full suite of advanced processing, analysis, and databasing functionalities for 1D and 2D NMR data from all major vendor formats. Process and analyze NMR data easily with synchronized peak picking and assignment across datasets. Reliably verify chemical structures. Quantify and analyze mixtures. Create comprehensive reports and publication-ready data. Share, manage, and store live NMR spectra linked with structures. -
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CLADE
CLADE
CLADE is revolutionizing bioanalytics by simplifying the complex process of chemical analysis through a unique combination of chemometrics and state-of-the-art spectroscopic technology. It delivers fast, accurate, and reproducible results, transforming liquid samples into digital fingerprints in just four minutes. At the core of CLADE's technology is the MIRA Analyzer, which records exceptionally precise mid-infrared spectra of aqueous samples in transmission mode over the analytically relevant wavenumber range. MIRA's automated features include sample and reference injection, correction of atmospheric influences, determination of optical path length, and cleaning and rinsing of the entire system, ensuring superior data quality. Complementing MIRA is CLADE's Sphere, a cloud-based platform designed to simplify bioanalytics. -
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Reaxys
Elsevier
Reaxys is a web-based tool developed by Elsevier for retrieving information about chemical compounds and data from published literature, including journals and patents. The platform provides access to chemical compounds, reactions, properties, related bibliographic data, substance data with synthesis planning information, and experimental procedures from selected journals and patents. Launched in 2009 as the successor to the CrossFire databases, Reaxys was designed to offer research chemists access to current and historical information in organic, inorganic, and organometallic chemistry through an intuitive interface. The platform covers over 200 years of chemistry, abstracted from thousands of journal titles, books, and patents. Its content includes data from selected journals and chemistry patents, focusing on entries that have a chemical structure, are supported by experimental facts, and have credible citations. -
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IPA can also be used for analysis of small-scale experiments that generate gene and chemical lists. IPA allows searches for targeted information on genes, proteins, chemicals, and drugs, and building of interactive models of experimental systems. Data analysis and search capabilities help in understanding the significance of data, specific targets, or candidate biomarkers in the context of larger biological or chemical systems. The software is backed by the Ingenuity Knowledge Base of highly structured, detail-rich biological and chemical findings. Learn more about QIAGEN Ingenuity Pathway Analysis (IPA). Comparison Analysis determines the most significant pathways, upstream regulators, diseases, biological functions, and more, across time points, dose, or other conditions.
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BIOVIA COSMO-RS
Dassault Systèmes
BIOVIA COSMO-RS is a comprehensive toolbox for modeling and predicting fluid phase properties, enabling chemical engineers, chemists, formulation engineers, and materials scientists to research and develop new solutions faster and more efficiently than with test and experimentation alone, thus accelerating innovation and reducing costs. COSMO-RS simulations are based on a sound scientific theory, which ensures robust and reliable predictions over the whole range of chemistry in the liquid state. The first-principle approach allows for predictions of new, not yet synthesized compounds, reaching beyond the known chemical space. BIOVIA’s COSMO team consists of the original inventors of COSMO-RS, assuring timely support and prime expertise to help solve even the most challenging problems in solution thermodynamics. Key benefits include a robust scientific foundation combining quantum chemistry and thermodynamics to ensure accuracy and reliability. -
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Chematix
Chematix
The full-spectrum chemical management solution designed to meet the specific requirements and responsibilities of scientists, researchers, regulatory officials and administrators in education, government and industry. Comprised of modules to handle: Web Procurement of chemicals and supplies, complete life cycle chemical tracking, chemical inventory management and regulatory control, waste management and regulatory compliance, financial management and auditing, resource management and system security. On-line ordering process with shopping cart feature. Built-in product search feature accessing central stores, in-house stockrooms and major vendor catalogs: Fisher, Sigma Aldrich and VWR Scientific. The ability to track every on-site chemical to an exact location assistance with compliance with health and environmental regulatory guidelines. Chemical Abstract Database (CAD) to maintain data integrity. -
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ChemAnalytical Workbook
ACD/Labs
Store & Share Live Analytical Data from Any Technique and Data Format. ACD/ChemAnalytical Workbook helps you centralize your analytical data. Manage data from different techniques and formats, all in one application. Create a database of analytical data—LC/MS, GC/MS, 1D & 2D NMR, UV, IR, and more. Import, process, and interpret analytical data from all major instrument vendor formats. Connect structure(s) and interpretation information with spectra and chromatograms. Search the database using a variety of spectral, structural, textual, and numerical criteria. Report all sample characterization results from one software interface. -
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ACD/Name
ACD/Labs
Generate chemical names for structures and produce structures from names according to IUPAC rules. Easily handles challenging areas of nomenclature, and translates chemical names into over 20 languages. -
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Khimera
Kintech Laboratory
Khimera is used to calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties of substances and their mixtures in gases, plasmas and gas-solid phases boundary. The primary users are researchers and engineers, involved in kinetic model development as well as thermodynamic and kinetic modeling for chemical engineering, combustion, catalysis, metallurgy, and microelectronics areas. Khimera ideally fits the needs of multi-scale modeling providing the link between fundamental molecular properties of individual molecules and mesoscale ensemble-averaged characteristics of the reactive medium: thermodynamic and transport properties as well as rates of chemical reactions. All the models can use the results of quantum-chemical simulations as an input, thus providing the possibility to recover properties without any experimental input from the user side. -
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Chemical Watch
Chemical Watch
Chemical Watch is the leading global provider of independent intelligence and insight for product safety professionals managing chemicals. Chemical Watch is the world’s most valued chemical safety and regulatory intelligence network and trusted partner to a global community of businesses, regulators and other stakeholders. Join the Chemical Watch community today to empower your business. Comprehensive structured product compliance data solution providing coverage of product regulations across all jurisdictions, including legal documentation, expert analysis and summaries. Attend our virtual conferences to take part in interactive question and answer sessions, ‘ask the expert’ themed networking tables and informative presentations, all from the comfort of your home or office. Network with fellow delegates and conference speakers in our dedicated virtual networking areas – just like you would at a live event. -
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LabCup
LabCup
The complete chemical inventory software and laboratory management enterprise system for industry and research universities. LabCup provides complete laboratory and research institution software management systems. From full chemical inventory software, risk assessment/COSHH, equipment booking, and asset inventory, to live emergency information, LabCup covers a huge range of functionality. LabCup is fully modular, users can choose which modules they require, and is cloud based so available on any device. Designed for the users, to minimise administration and automate procedures – LabCup automatically pulls in chemical data (SDS, GHS, all synonyms, structure, emergency information, and much more) – and this is all used throughout the system, with every chemical and item on the system tracked uniquely by barcode/ID. Multiple processes (including COSHH risk assessment, equipment and room bookings, training records, digital fire registry, purchasing, radioactives, and much more). -
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NEMS Chemical
NEMS
NEMS Chemicals is a hassle-free solution for managing HOCNF (Harmonized Offshore Chemical Notification Format) documentation. It's a cloud-based service, which means you don't need to install any software. All you need is a modern web browser to access it. By using NEMS Chemicals, oil and gas operators can reduce their workload when it comes to preparing discharge applications and reports. Chemical suppliers will also benefit from the solution, as it simplifies the process of HOCNF documentation and registration. NEMS Chemicals is developed and operated by NEMS and our KPD (Chemical Product Data) center. NEMS Chemicals is used for the environmental management of offshore chemicals. NEMS Chemicals is designed to register information on chemical products and their substances. This includes physical properties, hazard labeling, and eco-toxicological properties. The tool has the possibility to print out complete HOCNF reports. -
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NobleAI
NobleAI
NobleAI enables companies to accelerate the development of better-performing, more environmentally sustainable, and reliably sourced chemical & material products. At NobleAI, we believe that materials science and chemistry are key to building a sustainable world and that AI is essential to unlock this potential. NobleAI’s science-based AI is a powerful fusion of novel artificial intelligence techniques and all available scientific knowledge, optimized for product development. This combination of data-driven insights and scientifically guided design delivers much higher levels of accuracy with far less data and training time. This delivers deeper insights while exhibiting greater transparency, interpretability, and scientific fidelity. -
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PhysChem Suite
ACD/Labs
Calculate physicochemical properties such as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other molecular descriptors for organic compounds, from chemical structure. -
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Osium AI
Osium AI
Osium AI is an AI-powered software platform that enables industry leaders to accelerate the development of sustainable and high-performance materials and chemicals. By leveraging proprietary technology developed by experts with over a decade of experience in AI and multiple AI patents, Osium AI offers a unified solution covering every step of the materials and chemicals development cycle, from formulation and characterization to scale-up and manufacturing. It allows users to predict any material or chemical property in just a few seconds, design optimal routes for R&D experiment planning, analyze material characteristics and defects swiftly, and optimize existing processes to decrease costs, enhance properties, and reduce CO₂ emissions. Osium AI's software is designed to help with any R&D project and adapts to evolving needs, enabling efficient scaling of developments. -
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ChemInventory
Antipodes Scientific
ChemInventory helps you organize your laboratory's chemical stock, cutting the time spent by your group members searching for compounds, and letting them get on with their work. ChemInventory is secure, cloud-based software that allows you to manage the chemical containers in your laboratory. You and your research group members can search instantly for compounds by name, CAS registry number, structure or any number of your own custom fields. Chemical structures are presented alongside other relevant information in search results. ChemInventory can be accessed from any device - including PCs and Macs. You no longer need to have your inventory tied to a single computer. All data stored on our servers is encrypted using the industry standard AES-256 algorithm. To protect against data loss, we backup our databases daily. Unique barcodes can be assigned to each container, enabling simple and fast stocktaking procedures with a barcode scanner.Starting Price: $56 per year -
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ChemSketch
ACD/Labs
Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science. -
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MS Workbook Suite
ACD/Labs
One software for all your mass spectral data analysis and management. Quickly detect, distinguish, identify, and characterize components. ACD/MS Workbook Suite is an all-in-one package for MS data handling. Process MS, LC/MS, and GC/MS data acquired with instruments from any major vendor. Auto-annotate peaks and associate them with compound structures. Identify unknowns by deconvoluting spectra and searching databases for spectral matches. Create easily shareable and searchable spectral databases. -
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AQChemSim
SandboxAQ
AQChemSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQChemSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQChemSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
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SciveraLENS
Scivera
Screen formulations for sourcing and product development. Use our 23 toxicological endpoint system to proactively identify potential issues and find safer alternatives. Understand your company’s chemical footprint. Manage compliance and certification requirements automatically. Simplify data gathering, list-screening, and chemical hazard assessments with an easy-to-understand interface. Benefit from the world’s largest Safer Chemistry Knowledge Base with more than 4,000 Verified Chemical Hazard Assessments from Scivera’s board-certified toxicologists. Build a configurable plan to fit your needs and budget. Whether you’re a supplier or a brand, feel confident submitting or receiving chemical reports with redacted information that protects intellectual property while providing necessary chemical safety information. -
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Chemwatch
Chemwatch
Chemwatch is a global leader in chemical safety and management solutions, offering a comprehensive suite of software and services designed to streamline chemical management processes. Their platform provides access to the world's largest database of over 140 million Safety Data Sheets (SDS), ensuring up-to-date information for compliance and safety. Key features include SDS management, chemical registers and manifests, risk assessments, labeling, and reporting. Chemwatch's software packages, such as BackPack, GoldFFX, and Chemeritus, cater to various organizational needs, from small businesses to large enterprises, and are available in 49 languages. The platform also integrates with RFID asset management solutions, enabling efficient tracking of chemical and non-chemical assets throughout their lifecycle. With over 30 years of experience, Chemwatch serves more than 5,000 organizations worldwide, including 20 of the top 50 Fortune 500 companies. -
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GreenCheck Software
APA Engineering
Maintaining compliance standards for Substance of Very High Concern (SVHC) for companies producing chemicals or chemical-containing products is an ongoing challenge. Manual processes are fast becoming tedious, complex with growing requirements and evolving supply chain and not easy to scale up. Scale-up & manage peak loads during submissions and new product introductions. Managing complex and large supply chains with relentless follow-up with suppliers. APA Engineering with over 19+ experience in ‘product chemical compliance and a global client base has built this web-based SaaS platform to reduce costs & time and achieve comprehensive compliance reporting. Greencheck software automates most of the critical product chemical compliances. One-click email to get the chemical composition. Vendors can upload directly even via excel. Comprehensive compliance reporting, a single dashboard for all product chemical regulations. -
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ChemOne
YASH Technologies
Chemical companies are witnessing transformational shifts in their business landscape with margin pressures, changes in how their customers want to use and pay for their products, and the need for strategic agility to shrink cycle/lead times in response to market dynamics. In the Chemical industry, only frictionless processes, 100% plant availability, and maximum reliability can ensure competitiveness. As a leading SAP Partner, YASH’s SAP Centre of Excellence leverages technology and flexible business models to drive innovation and value throughout your chemical enterprise. Optimize the entire process from procurement, manufacturing to sales, distribution and financial accounting. Provides access to a seamless and safe transaction procedure. Pre-built apps and build custom reports that comply with statutory and regulatory norms. Monitor formulae in real-time to account for input variability and reduce control cost. -
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Chemcad
Chemstations
Chemstations' integrated suite of intuitive process simulation software fuels productivity for chemical engineering projects. Give CHEMCAD NXT a comprehensive test run and find out how our process simulation software guides you intuitively through detailed system design, analysis, and reporting. Try CHEMCAD for free today and find out how easily you can simulate simple and complex chemical processes on one intuitive, graphical interface. Take advantage of comprehensive CHEMCAD training services ranging from basic and advanced training courses to informative videos and webinars. We created CHEMCAD to empower the role of chemical engineers across industry. To enhance their design, analysis, and testing capabilities so they can drive productivity throughout their organizations. With flexible pricing options, we have a solution to fit every need. CHEMCAD enables you to meet the ever-expanding needs of the chemical engineering profession. -
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Chemdoc
EcoOnline
Manage your COSHH Risk Assessments and SDS, the smart way. Software to get your chemical safety organized and compliant. Simply tell us what products you have in your inventory and we do the rest, Safety data sheet management simplified. We work with you to build customizable COSHH Risk Assessment templates that work for your organization. Our online platform allows you to complete chemical safety reports which can be distributed to all employees within your business. Chemdoc is a chemical safety management software that saves you money and time. Chemdoc gives control back to those managing chemical safety by directly sourcing Safety Data Sheets from the manufacture on your behalf and supplying you with the tools to complete custom and relevant COSHH Risk assessments which will be complaint and also to ensure the safety of your employees. -
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REACH Factory
EcoMundo
REACH Factory is an all-in-one, modular, cloud-based and fully interfaceable with your IS software for all industries where traceability and management of chemical substances have become a requirement. With its regulatory knowledge base on 380 global regulations and 300,000 chemical substances, REACH Factory is at the heart of the CSR policy of companies. Its SDS Factory module ensures the creation of your SDSs in record time. Their global compliance, local adaptation and translation are managed directly by the software with the latest updated versions. Its PDF Reader module can assist in the digitization of data and accelerate the management of MSDSs within the enterprise, freeing teams for more essential tasks. Complemented with its SAFE Factory module, chemical risk management is simplified and automatable. The same goes for the calculation of the forecasted and actual ICPE/SEVESO status, which is automated according to the digitized data of the SDS and the stored quantities. -
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EUPHOR
EUPHOR
EUPHOR is a compliance management solution designed specifically for chemical companies working to meet the deadline for global regulations such as REACH 2018. EUPHOR offers an automatic alert system, secure data storage and sharing, an easy-to-use dashboard interface, and practical tools for project management and collaboration. Available in both web-based and on-premise versions, EUPHOR is designed to streamline, manage, and track REACH compliance projects. However, it will also work for chemical regulation compliance in general. This robust compliance project management solution will be your go-to tool for all compliance program management. Chemical regulations around the world are becoming more demanding. EUPHOR can help you achieve compliance. EUPHOR handles REACH and similar compliance project management and makes it easy to collaborate and track progress toward chemical regulations compliance. Some regulatory compliance software just provides information. -
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Knowde
Knowde
Knowde is a vertical AI and software platform purpose-built for the chemical, ingredient, and polymer industry. It provides a clean, structured data foundation by automatically harmonizing supplier and product data (e.g., material specifications, regulatory, performance metadata) that powers downstream tools such as ERP, CRM, AI, ecommerce, and master data systems. On top of that data layer sits the Knowde Customer Experience Platform, a turnkey solution allowing chemical suppliers to operate branded, B2B digital storefronts integrated with product catalogs, search, sampling, quoting, and content. In parallel, Knowde hosts a marketplace where buyers can search, compare, sample, quote, and purchase from 8,000+ supplier-owned storefronts across over 230,000 ingredients, polymers, and raw materials worldwide, all with technical documentation, supplier insights, and procurement tooling. -
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InfoChem
DeepMatter
As part of the DeepMatter Group we continue to supply our platforms for Synthesis & Reaction Prediction, Information Extraction and Cheminformatics as well as DigitalGlassware®, the innovative cloud-based digital chemistry platform from DeepMatter™, that brings recordability, reproducibility and shareability to your lab at every stage of the discovery process, from planning your reaction to analyzing the outcome. We continue to work side-by-side with our clients and users developing cutting-edge software solutions to boost chemical research and inspire scientific workflows. DeepMatter has a differentiated portfolio of products that accelerate and optimize the hypothesis, design, and synthesis process. These products enable new compounds such as pharmaceuticals, agrichemicals, and performance chemicals to get to market faster.DigitalGlassware transforms your chemistry into code to improve your productivity in your laboratory. -
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Ansys Chemkin-Pro
Ansys
Ansys Chemkin-Pro is the industry leader for modeling complex, chemically reacting systems. It has been extensively validated in numerous chemistry applications and is well known for its extremely fast simulation time. Today’s energy standards call for high yields, efficiency and quality with minimal byproduct or waste. Ansys Chemkin-Pro is a chemical kinetics simulator that models idealized reacting flows and provides insight into results before production testing. Relying on testing alone for verifying chemical processes is prohibitive, given today’s shortened design cycles. Effective simulation is critical for cost-effective designs and gets your product to market faster. Mitsuo Koshi is a world-renowned chemical kineticist who also happens to be an avid fireworks fan. He is responsible for judging prestigious fireworks competitions across Japan. Every year, firework displays become grander and more fantastic, but this is paired with increased emissions. -
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3E
3E
The only full-service solution. All the chemical information your workers need to operate safely and sustainably. Simply send us a list of products and let us take care of the rest. We provide the only solution that supports unlimited users and facilities accessing SDSs, documents & data in any global location and in over 128 supported languages. We will match your product list to the most current SDS, acquire SDSs directly from the manufacturer, and index critical data from each SDS for use, including GHS classification and labeling information. Our world-renowned EHS call center is always available to help with any issue, from simple SDS requests to emergency response guidance or assistance with chemical spills, poison exposures, and other natural disasters. Effectively and efficiently inform employees and downstream customers of potential chemical hazards and appropriate protective measures. -
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CADSIM Plus
Aurel Systems
CADSIM Plus is a chemical process simulation software that combines a first-principles dynamic simulator with a full-featured Computer Assisted Drawing (CAD) front-end in one package. It performs precise heat and material balances for any chemical process and can develop complex dynamic simulations with control logic and batch operations. The software includes a comprehensive set of generic process modules and offers optional module libraries for various applications. CADSIM Plus supports any level of drawing complexity, from simple block diagrams to detailed engineering drawings, and allows exporting drawings to AutoCAD and other standard CAD programs. Its 'electronic flowsheet' runtime simulation mode interface enables interactive and animated simulation tools, where users can change conditions while the simulated process is running. Applications of CADSIM Plus include process design, troubleshooting, prediction of future process conditions, and solutions to dynamic control. -
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VISCOchem
VISCO
VISCO Enterprise Resource Planning (ERP) Software is specifically designed for chemical importers and wholesale distributors. Powerful yet easy to use, VISCO ERP Software helps chemical importers and distributors improve their inventory visibility at the lot level, track landed costs, manage documents, and guarantee that their material meets customer's specific requirements. VISCO ERP Software integrated well with QuickBooks for accounting.Starting Price: $125 per month -
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BIOVIA CISPro
Dassault Systèmes
BIOVIA CISPro enables organizations to maintain a listing of all the chemicals and materials in each facility at the container level, keep track of where they are in real-time and monitor usage. An unlimited number of material classes can be tracked, including reference standards, with multiple security layers. Inventories for individual business units can be maintained independently, yet managed collectively under the same company account. CISPro delivers all the necessary tools to accurately track and report chemicals and supplies including controlled substances while meeting safety and regulatory requirements, including barcode labeling, remote inventory control and Safety Data Sheet (SDS) management. Reports are easy to generate, allowing chemicals to be listed by location, vendor, name, CAS#, formula, etc. Most importantly, hazard information is always easy to access during an emergency. -
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EcoOnline
EcoOnline
Through a comprehensive platform, EcoOnline offers all the modules that a company needs to create safe, compliant and efficient workplaces. The functionally rich integrated platform ensures real-time decision support and EHS analytics, drive efficiency, whilst safeguarding your workforce, customers, and company reputation. With EcoOnline’s digital solutions, following safety management best practices is easy, effective and even inspiring. Use our mobile app to engage employees and build a lasting safety culture. The most user-friendly chemical safety software on the market that gives control back to employees who manage chemical safety. Take control of your SDS Management, Risk Assessments and Chemical Reporting. EcoOnline's Environmental Reporting Software modules allow you and your organization to track and reduce organizational emissions, optimize raw material usage and automate and schedule regular reports. -
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ProSimPlus
Fives ProSim
ProSimPlus is a chemical process simulation software very intuitive and easy to use, so users adopt it very quickly. The software is a solution that is widely used by the world’s leading oil, gas, chemicals, energy or bio-based industry companies. Fives ProSim offers process simulation software and services that allow industries to improve their operations, increase their profitability or reduce their environmental impact. For more than 30 years Fives ProSim has been designing and developing process simulation and optimization software in the oil, gas, chemical, pharmaceutical, energy and other process industries. Fives ProSim is today at the heart of two challenges that the industry must face to remain competitive: the digital transition and the energy transition. Fives ProSim stands out thanks to the ease of use of its software, the responsiveness of its support team. -
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Valdata CMS
Valdata Systems
CMS is an end to end chemical management system consisting of sales order entry through shipping. CMS utilizes unique license plate barcode inventory records as well as direct scale connectivity to ensure unprecedented inventory and manufacturing accuracy.Starting Price: 2,500.00/one-time -
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BIOVIA COSMOtherm
Dassault Systèmes
BIOVIA COSMOtherm is an advanced COSMO-RS implementation that combines quantum chemistry and thermodynamics to predict thermodynamic properties of liquids. It calculates the chemical potential of molecules in pure or mixed liquids across variable temperatures, enabling the prediction of properties such as solubility, partitioning, vapor pressure, and phase diagrams. Unlike other methods, COSMOtherm applies thermodynamically consistent equations to predict properties as functions of concentration and temperature. Key features include the ability to predict solubility of liquids, solids, and gases; activity coefficients; two-phase partitioning (e.g., LogP); phase behavior; vapor pressures; free energy of solvation; pKa; energy of transfer to liquid-liquid interfaces; micelle and membrane partitioning; and interfacial tension. COSMOtherm offers an easy-to-use graphical interface and a command-line version for seamless integration into existing workflows. -
42
CDD Vault
Collaborative Drug Discovery
With CDD Vault, you can intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. Start your free trial and see first hand how easy it is to manage drug discovery data. Tailored for you Affordable Scales with your project team(s) Activity & Registration * Electronic Lab Notebook (ELN) * Visualization * Inventory * APIs * Secure Online Hosting -
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iChemistry
Intersolia
Since 1999, we’ve been providing our customers with the market’s most complete chemical management solution, developed in collaboration with our customers and our market-leading experts. iChemistry is our cloud-based solution for the end users in the chemical management supply chain. Our software helps you manage environmental, health, and safety performance, ensure compliance, minimize risk, and improve profitability. Create and distribute safety sheets so that you can identify risks, prevent accidents, and reduce workplace hazards. Comply with government requirements such as REACH or GHS. Become more sustainable by working proactively to reduce hazardous chemicals. Increase efficiency and control, so that you can free up more time and resources. With iChemistry, you also get access to our integrated SDS service that has one of Europe’s largest databases for safety data sheets. All of our SDS are digitized, which means that you get instant access to all essential information.Starting Price: Free -
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BIOVIA
Dassault Systèmes
BIOVIA solutions create an unmatched scientific management environment that can help science-based organizations create and connect biological, chemical and material innovations to improve the way we live. The industry-leading BIOVIA portfolio is focused on integrating the diversity of science, experimental processes and information requirements end-to-end across research, development, QA/QC and manufacturing. Capabilities over the areas of Scientific Informatics, Molecular Modeling/Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality & Compliance and Manufacturing Analytics. BIOVIA is committed to enhancing and speeding innovation, increasing productivity, improving quality and compliance, reducing costs and accelerating product development for customers in multiple industries. Manage and connect scientific innovation processes and information across the product lifecycle. -
45
ACD/Labs Percepta Platform
Advanced Chemistry Development
Percepta offers calculation of a variety of physicochemical (PhysChem) properties, ADME properties, and toxicity endpoints. Easily evaluate results from physicochemical, ADME, and toxicity calculators—each module offers prediction—specific information and tools such as structure highlighting and calculation protocols. Powerful graphing, sorting, and filtering tools further aid evaluation of predicted results. Use reliability index, probability and/or similar structures from the training set to assess confidence in the predicted result and relevance to your current project. Apply calculated molecular property data to investigate structural modification/lead optimization to reach the target product profile (absorption, distribution, metabolism, excretion). Train with experimental data—better reflect proprietary chemical space and improve prediction accuracy using inbuilt machine learning capabilities. -
46
CHEMDOX
CHEMDOX
CHEMDOX® software supports regulatory experts in all aspects of hazardous materials management: - Chemical Management - Safety Data Sheet (SDS / MSDS) Authoring - Safety Data Sheet (SDS) Translation - Hazard Labeling - GHS Compliance - Safety Data Sheet (SDS) Distribution CHEMDOX® supports high-quality classifications with strong regulatory content and includes classification calculators for all included regulations. With CHEMDOX®, many hazardous materials management processes are automated and performed with database support. -
47
MolPad
MolPad
MolPad integrates an interactive chemistry sketcher into any online learning platform. Build open questions about molecular structure and organic chemistry that go beyond just recognizing the right answer. Discover how MolPad can enrich online chemistry education by providing a low code environment for creating dynamic content and smart assessment. With MolPad, we have developed several solutions for interactive and intuitive drawing of structural formulas, enabling the student to practice with topics like chemical naming, functional groups, and Lewis structures in a digital environment. By providing smart feedback based on specific errors, the student can gain more insight than with multiple choice questions. -
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Vertere Inventory Manager
Vertére
Vertére’s Inventory Manager is a comprehensive lab management system built for Chemical Inventory, Biological Inventory, Equipment Tracking, Stockroom Management, and SDS Management. With barcode integration, tracking, transferring, and disposing of containers is quick, accurate, and audit-ready. Manage inventory at the container or location level and easily access Safety Data Sheets (SDSs) and other critical documents. Maintain compliance with built-in GHS classification tracking and automatically generated GHS-compliant labels. Access your entire inventory in real time from your phone, tablet, or desktop—whether you're searching, transferring, disposing, or adjusting quantities. Stay ahead with email alerts for expiring chemicals, low inventory, and custom thresholds. Delivered with regulatory checklists including DHS, SARA, and peroxide formers to help you identify and manage risk. User-friendly, compliance-driven, and powerful enough for the most demanding lab environments.Starting Price: $290/month -
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LabCollector LIMS
AgileBio
LabCollector Lab Services Manager (LSM) is a cutting-edge network-based software solution that helps core facilities, laboratories, and biotechs. Simple and fully comprehensive, LabCollector LMS helps users manage a variety of useful day-to-day lab information. The solution comes with powerful modules, such as Strains & Cells Module, Plasmids Module, Sequences Module, Antibodies Module, Chemical Structures Module, Reagents & Supplies, Animals Module, Samples Module, Documents Module, Equipment Module, Address Book Module, and so much more.Starting Price: $2500.00/one-time/user -
50
eLogger
eLogger
Automated logbook solution with emailing, reminders, spell check, attachments, full audit trail, and offline capabilities. Used for shift-turnovers, rounds/readings, workflow/production tracking, environmental and compliance reporting, and much more. eLogger replaces paper log books and disconnected systems-collecting, storing, and distributing real-time operational data immediately. Our clients are some of the world’s industry leaders in power generation, electric, gas, and water utilities, water/wastewater treatment, chemical, oil refining, biotech, research, manufacturing, mining, aerospace, and correctional institutions.
