Chemical database - PowerPoint PPT Presentation

Scientific &amp; technical Presentation Pipeline Pilot Integration

Scientific &amp; technical Presentation Pipeline Pilot Integration. Szil árd Dóránt. February 2013. The Component Collection: Quick facts . Provides access to ChemAxon tools from Pipeline Pilot Developed and directly supported by ChemAxon Free of charge

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7. Molecular Docking and Drug Discovery

7. Molecular Docking and Drug Discovery. R. M. ChemDB RChemDB. Filters. Experiments. NM. The Docking Problem. Given : receptor binding pocket and ligand. Task : quickly find correct binding pose. Two critical modules: Search Algorithm Scoring Function. Definitions.

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1.04k views • 33 slides

ChemReader

Workshop on Data, Text, Web, and Social Network Mining Apr. 23, 2010, University of Michigan, Ann Arbor. ChemReader. Tunable Machine Vision-Based Strategy for Automated Annotation of Chemical Database. Jungkap Park, Gus R. Rosania, and Kazuhiro Saitou University of Michigan, Ann Arbor.

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203 views • 18 slides

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Chemical database - PowerPoint PPT Presentation

Scientific &amp;amp; technical Presentation Pipeline Pilot Integration

7. Molecular Docking and Drug Discovery

ChemReader

Scientific & technical Presentation Pipeline Pilot Integration