Awesome cheminformatics
A curated list of awesome cheminformatics resources.
- https://www.rdkitjs.com/
- https://react.rdkitjs.com/
- https://github.com/cheminfo/openchemlib-js
- https://github.com/Actelion/openchemlib
- Applied AI for Materials Science - Winter '21
- IU INFO I-590, Data Science in Drug Discovery, Health and Translational Medicine (DSDHT), Part 2 on drug discovery (Fall 2017)
- Ed Griffen & David Cosgrove: Efficiently delivering better molecule depictions and highlighting
- RDKit
- https://cactus.nci.nih.gov/
- https://miew.app/
See also
A collection of elaborate, large-format chemical structure depictions. Discover the fine details of chemical structures in their own right.
A periodic table of the elements.
A poster featuring the ball-and-stick model of the cyclooctatetraene molecule.
A poster featuring the 20 standard amino acids.
A pronunciation guide for cheminformatics terms.
A daily crossword puzzle for cheminformatics terms.
A simple online editor for Mol files.
Convert SMILES (simplified molecular-input line-entry system) to a 3D structure online.
Convert SMILES (simplified molecular-input line-entry system) to a structure online.
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