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  • About the InChI Standard
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InChI Tag: Drug Discovery

4 posts

Yuel: Improving the Generalizability of Structure-Free Compound–Protein Interaction Predictions

Drug Design Drug Discovery Science
by Rudy Potenzone
Published August 7, 2023

Test (All Tags)

AI/ML Blogs Cheminformatics Classroom Material Content type Data Extraction Drug Design Drug Discovery Events Extended Stereochemistry Extended Tautomers InChI Applications InChI Development InChI Overview Isotopologues Large Molecules Matlab Miscellaneous Mixtures (MInChI) Nanomaterials News Organic Organometallics/Inorganics Poster Publication Python Reactions Resolvers Safety Scientific Applications Search Slide Deck Software Spreadsheet Toolkits Variable/Positional Isomers Video

Test (All Tags)

by Andrew Cornell
Published July 23, 2023

Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives

Drug Discovery Drug Design
by Rudy Potenzone
Published April 14, 2023

Using deep neural networks to explore chemical space

Drug Design Drug Discovery Drug Design Science
by Rudy Potenzone
Published December 17, 2021

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