Cheminformatics Websites
Free chemical structure search engine. Millions of public domain structures. Very fast substructure searching. Results link to data about these structures.
Websites like » emolecules.com
ChemAxon is a company for software development. Programs, Java applets and other Java tools for chemistry, client-server applications, chemical databases.
Websites like » chemaxon.com
ISCB - International Society for Computational Biology
Websites like » iscb.org
Information on Data Mining and Analytic technologies (tutorials, papers, etc.)
Websites like » thearling.com
Chembank is a public, web-based informatics environment created by the Broad Chemical Biology program and funded in large part by the National Cancer Institute Initiative for Chemical Genetics (ICG). This environment includes a freely available collection of data about small molecules and resources for studying their properties, including their effects on biology. It is intended to assist biologists who wish to identify small molecules that can be used to perturb a particular biological system, to guide chemists designing novel compounds or libraries, and to serve as a source of data for cheminformatic analyses. ChemBank currently stores information on approximately one million compounds and a number of biological assays that have been run at the Broad Institute. More importantly, ChemBank is in the process of developing sophisticated analytical tools to enable chemists to design better chemical libraries and to enable biologists to more readily identify potential classes of biological probes.
Websites like » chembank.broad.harvard.edu
keywords: MOE PSILO CCG Drug Discovery Software Protein Modeling Bioinformatics Cheminformatics QSAR Molecular Modeling Ligand Receptor Docking Protein Analysis Protonate States pharmacophore Discovery Scaffold Replacement Medicinal Chemistry; Chemical Computing Group (CCG) is a life science software company, dedicated to producing leading drug discovery technologies for both pharmaceutical and biotechnology companies. CCG product, the Molecular Operating Environment (MOE) is a comprehensive system that integrates visualization, molecular modeling, protein modeling and bioinformatics, cheminformatics and QSAR, high throughput discovery, structure based design and pharmacophore modeling in one package. PSILO is a database system that provides an easily accessible, consolidated repository for macromolecular and protein-ligand structural information.
Websites like » chemcomp.com
Schrödinger is the scientific leader in developing state-of-the-art chemical simulation software for use in pharmaceutical and biotechnology research.
Websites like » schrodinger.com
We offer innovative chemoinformatics software products, consulting, development and research services to increase the quality and productivity of discoveries in chemical, pharmaceutical and biotechnology research and development.
Websites like » molecular-networks.com
ChemNavigator provides the research community with a secure, reliable system for Internet-based chemical exploration and procurement for optimizing biologically active compounds. Through its iResearch System, ChemNavigator combines customizable chemical design tools, the worldÂ’s largest searchable compound database, and various sources of information together under one system for members to conduct secure searches to find and purchase compounds that are relevant to their research needs.
Websites like » chemnavigator.com
Chembank is a public, web-based informatics environment created by the Broad Chemical Biology program and funded in large part by the National Cancer Institute Initiative for Chemical Genetics (ICG). This environment includes a freely available collection of data about small molecules and resources for studying their properties, including their effects on biology. It is intended to assist biologists who wish to identify small molecules that can be used to perturb a particular biological system, to guide chemists designing novel compounds or libraries, and to serve as a source of data for cheminformatic analyses. ChemBank currently stores information on approximately one million compounds and a number of biological assays that have been run at the Broad Institute. More importantly, ChemBank is in the process of developing sophisticated analytical tools to enable chemists to design better chemical libraries and to enable biologists to more readily identify potential classes of biological probes.
Websites like » chembank.broadinstitute.org
SVM, support vector machines, SVMC, support vector machines classification, SVMR, support vector machines regression, kernel, machine learning, pattern recognition, cheminformatics, computational chemistry, bioinformatics, computational biology
Websites like » support-vector-machines.org
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