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Practical Applications of Matched Molecular Pairs at Vernalis · •ChEMBL •KNIME Matched‐molecular series implementation: Hunt, P. et al., 2017. Practical applications of matched
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Mining the ChEMBL Database: An Efficient Chemoinformatics ... · Mining the ChEMBL Database: An Efficient Chemoinformatics Workflow for Assembling an Ion Channel-Focused Screening
ChEMBL & RDKitrdkit.org/UGM/2012/Ochoa.RDKit-presentation_Final.pptx.pdfSAR Data Compound y Ki = 4.5 nM >Thrombin MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCS
The Druggable Genome - EMBL-EBI · Anna Gaulton EMBL - European Bioinformatics Institute, ChEMBL Group The Druggable Genome
ChEMBL – Large-Scale Open Access Data for Drug Discovery John Overington EMBL-EBI [email protected].
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SureChEMBL – Tech Track Session · SureChEMBL – Tech Track Session ELIXIR Innovation and SME forum Mark Davies Technical Lead ChEMBL Group. ... UniChem – InChI‐based chemical