| Accelrys, Inc: Producer of various molecular modeling and simulation software for both life and materials science research, like cerius, catalyst, insightII, quanta. |
| Advanced Chemistry Development: Specializes in Windows and applet-based software for structure drawing, nomenclature, NMR processing and prediction, chemical databases, and prediction of physicochemical properties. |
| Atomistix: Producers of Virtual NanoLab, software for modeling the electrical properties of nanoscale devices. |
| Axiom Discovery, Inc.: Develops software and offers consulting services for in-silico drug discovery and molecular visualization. |
| CambridgeSoft: Computational, database, communication and drawing software for chemists. |
| CHEMAPPS: Specializes in the development of life science applications for medicinal chemistry professionals. |
| ChemAxon: Programs, Java applets and other Java tools for chemistry, client-server applications, chemical databases, web site development. |
| Chemical Computing Group (CCG): Develops MOE, the Molecular Operating Environment, a package for high throughput discovery, bioinformatics, and computer aided molecular design. |
| Chemical Simulations Group: Software and consulting services to the pharmaceutical, biotechnology, and chemical industries. |
| Chemistry-Software.com: Sells software for organic chemistry, mass spectroscopy, quality control, and general chemistry. |
| ChemSW: Chemistry Software for Windows. Includes structure drawing, MSDS management, chemical inventories, quality control, databases, data analysis, and education and training. Online purchasing available. |
| CompuChem: Software for drawing chemical structures, visualize laboratory experiments, teaching, 3D visualisation of molecules and quantum chemistry. |
| CrystalMaker Software: Crystal structures visualization and diffraction software for Macintosh. |
| Daylight Chemical Information Systems: Offers an integrated set of programs and libraries for chemical information processing. Based on the SMILES linear notation. |
| Desert Scientific Software: Provides software for medicinal research. Focused in structure based drug design and developing methods for predicting protein-ligand binding affinities. Develops web applications for protein databases and visualization. |
| Eidogen-Sertanty: Provider of knowledge-based drug discovery solutions to biotechnology and pharmaceutical organizations through software, content, and collaborative service arrangements. |
| FQS Poland: Reseller of various packages for chemistry, biochemistry, and materials science, including Cache and ChemOffice. |
| Gaussian, Inc: Contains manuals and other useful information related to the Gaussian98 program for quantum chemical calculation. |
| gNova Scientific Software: Provides consulting services and CHORD, a database cartridge for adding substructure search and other chemical functions to PosgreSQL. |
| Hypercube, Inc: Producer of HyperChem, a molecular modeling package for windows and HyperNMR, a program for prediction of one-dimensional NMR spectra. |
| MDL Information Systems: A wide variety of data management, analysis, and visualization tools: ISIS, Chemscape, Sculpt and Assay Explorer. Some free downloads including ISIS/Draw and Chime. |
| MEDIT - Molecular Extended Distribution in Information Technology: French company working on software development and services in bioinformatics, cheminformatics and molecular modeling. Offers in-silico services for R&D in pharmaceutical, cosmetic, agrochemical, and biotechnology industries. |
| Metaphorics, LLC.: Software and databases for docking. |
| Molecular Discovery Ltd.: Producer of GRID, a program for determining energetically favorable binding sites on molecules of known structure, and other "tools to derive high quality 3D descriptors with the purpose to link Structure-Based Drug Design, Chemoinformatics and Bioinformatics." |
| Molecular Networks GmbH: Software for drug design, combinatorial chemistry, organic reactions and synthesis, data mining, and data warehousing. |
| Molfunction - Institute of Molecular Function: Producer of Homology Modeling for HyperChem, Gaussian Interface for HyperChem, ONIOM Interface for Receptor, and Docking Study with HyperChem. |
| MolMo Services: a Molecular Modeling and Drug Design Company: Software for chemoinformatics, bioinformatics, and drug design; consulting services for the chemical and pharmaceutical industry. |
| Molsoft L.L.C.: Provider of tools, databases and consulting services in the area of structure prediction, bioinformatics, cheminformatics, molecular visualization, and rational drug design. |
| OpenEye Scientific Software: Provides software and toolkits for structure-based drug design. |
| Parallel Quantum Solutions: Manufactures parallel computers for high-performance computational chemistry. |
| Princeton Simulations: Software for conformational analysis and searching. |
| Q-Chem, Inc.: Developer and provider of quantum chemistry software for ab initio electronic structure calculations. |
| QuantumBio: Develops solutions for Computer-Assisted Molecular Modeling and Computer-Assisted Drug Design, with emphasis on semiempirical quantum mechanics and bioinformatics. |
| Schrödinger, Inc: Producer of the Jaguar quantum chemistry package and the MacroModel molecular mechanics package. |
| Scientific Instrument Services: SIMION ion optics software and more than 200 scientific software products in mass spectrometry, chromatography, quality control, chemical inventory, MSDS, molecular modeling, database, and plotting. Online ordering. |
| Semichem, Inc.: Develops programs, such as AMPAC and CODESSA, based on semiempirical molecular orbital methods. |
| Synthematix: Chemistry software and cheminformatics database programs for chemists. ARTHUR suite monitors chemical reaction schemes, datasets, reactants, and institutional memory. |
| Tripos, Inc: Producer of sybyl, a computational tool kit for molecular design and analysis. |
| Wavefunction, Inc: Producer of spartan, a quantum chemical calculation program with nice visualization opportunities. |
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