Best Chemical Software - Page 3
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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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Infor M3
Infor
Efficiently executing the complex processes of enterprise manufacturers and distributors. Infor M3 is a cloud-based, manufacturing and distribution ERP system that leverages the latest technologies to provide an exceptional user experience and powerful analytics in a multicompany, multicountry, and multisite platform. Infor M3 and related CloudSuite™ industry solutions include industry-leading functionality for the chemical, distribution, equipment, fashion, food and beverage, and industrial manufacturing industries. Staying ahead of the competition means staying agile. Our new capabilities bring improved data-driven insights and streamlined workflows to help you make informed decisions and take quick action. -
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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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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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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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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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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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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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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. -
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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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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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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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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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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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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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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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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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LabSoft LIMS
Computing Solutions
Since 1989 Computing Solutions, Inc. (CSI) has been providing LabSoft LIMS exclusively to the Chemical, Manufacturing, Food & Beverage, Energy, Agriculture, and Petrochemical industries. Along with the industry focus, LabSoft LIMS software is a full featured, highly configurable laboratory information management system (LIMS) that boasts built-in tools and the ability to collaborate with other digitized business systems (e.g. OSIsoft’s PI, Microsoft Dynamics AX). LabSoft LIMS' comprehensive feature set empowers you to build an integrated solution that fully exploits your laboratory data yielding higher quality and reduced costs. In addition to providing all the standard features of a laboratory information management system, LabSoft LIMS is distinguished in its configuration capability. LabSoft LIMS recognizes the need to provide unique sampling types and processes. With LabSoft LIMS, QC, in-process, lot/batch, tanks, finishing samples, etc. -
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Infor CloudSuite ERP
Infor
Infor is a global provider of industry-specific solutions that serve businesses of all sizes. Infor uses the latest technologies and automation on one connected platform to deliver simple, modern user experiences and hyper-productive workflows. Infor CloudSuite ERPs include industry-leading functionality for industries such as distribution, fashion , food and beverage, healthcare, and industrial manufacturing. The Infor CloudSuite solutions are designed with pre-built workflows based on industry best practices to maximize productivity, while reducing customization and derisking and simplifying deployments. Infor CloudSuites ERPs are cloud-native, built on the Infor OS platform and securely hosted on AWS. This proven foundation for innovation and intelligence uses advanced technologies (AI, RPA), insights, automation, and application development to bring together data and processes that enhance decision making and productivity, while allowing organizations to easily scale. -
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TrendMiner
TrendMiner
TrendMiner is a fast, powerful and intuitive advanced industrial analytics platform designed for real-time monitoring and troubleshooting of industrial processes. It provides robust data collection, analysis, and visualization enabling everyone in industrial operations for making smarter data-driven decisions efficiently to accelerate innovation, optimization, and sustainable growth. TrendMiner, a Proemion company, is founded in 2008 with our global headquarters located in Belgium, and offices in the U.S., Germany, Spain and the Netherlands. TrendMiner has strategic partnerships with all major players such as Amazon, Microsoft, SAP, GE Digital, Siemens and Aveva, and offers standard integrations with a wide range of historians such as OSIsoft PI, Yokogawa Exaquantum, AspenTech IP.21, Honeywell PHD, GE Proficy Historian and Wonderware InSQL. -
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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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SpheraCloud
Sphera
Empower your business with actionable and measurable results and gain a comprehensive view of ESG performance and risk in real time. For generations, companies found it near-impossible to generate a holistic view of their risk profiles. Today, they have SpheraCloud®, an integrated ESG performance and risk management software platform. SpheraCloud is a key part of Sphera’s approach to addressing safety and sustainability issues before they even occur. It allows users to not only get the right information to the right people at the right time, but also empowers them to make better business decisions with its predictive and prescriptive capabilities. Many companies struggle to connect disparate data throughout their organizations and their value chains, and to communicate that risk efficiently and effectively. It’s hard to complete such an enormous task—without SpheraCloud. The innovative SaaS platform empowers your company to gain a comprehensive view of ESG performance and risk. -
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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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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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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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Proscient
Petrotechnics
Petrotechnics’ Proscient delivers a cutting-edge approach to achieving the practical benefits of digitalisation, Industry 4.0 and the IIoT. The software platform provides the first integrated view of the operational reality, delivering petroleum industry operators a radically different, far more effective way to visualise and manage activity and risk. Proscient brings together disparate technologies and information from across the organisation – translating and aggregating it in a way that simplifies and automates complex planning, operations, maintenance, engineering and HSE processes. By looking at three simple screens, everyone from the boardroom to frontline operations can consistently see and manage risk and activity – given them insights to make better business decisions. They can manage risk, costs and productivity like never before with real-time access to see what’s happening, where it’s happening, and what’s driving operational risk. -
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Torx
Cresset Group
Make better design decisions and track compound synthesis from start to finish with ease. Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze that work in synergy to deliver a complete discovery cycle platform. Design molecules faster, capture and share knowledge, and manage resources with ease. Collaborative team working and information delivery for all roles in the DMTA cycle. However you refer to it, 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze', all small molecule chemistry teams go through a common process: design molecules, make or synthesize compounds, then test and analyze the results before the next iteration; it’s the mantra of chemistry teams all over the world. -
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HyperProtein
Hypercube
HyperProtein is Hypercube, Inc.'s new product focusing on the computational science associated with protein sequences. The product includes the analysis of one-dimensional protein sequences as well as the analysis of consequent three-dimensional protein structures. In particular, the relationship between sequence and structure is a fundamental facet of the product. Unlike individual software programs that provide capability for some aspect of protein sequence or structure, such as sequence alignment, HyperProtein puts together a multitude of Bioinformatics and Molecular Modeling tools related to the science that initiates with a protein sequence. -
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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. -
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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.