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

See also

• RDKit WASM - Running RDKit in the browser with WebAssembly.
• Cheminformatics Crossword - A daily crossword puzzle for cheminformatics terms.
• IUPAC to Structure - Convert IUPAC names to 2D structures.
• Canonical SMILES Generator - Convert a SMILES string to its canonical (kekulized) form.
• SMILES Parse Tree Viewer - Visualize the parse tree of a SMILES string.
• SMILES to Structure - Convert SMILES (simplified molecular-input line-entry system) to a structure online.
• SMILES to Structure API - A web service for converting SMILES (simplified molecular-input line-entry system) to MOL.
• Awesome SMILES - A curated list of awesome resources on SMILES (simplified molecular-input line-entry system).
• SMILES to IUPAC - Convert SMILES to IUPAC name online.
• IUPAC to SMILES - Convert IUPAC names to SMILES strings.
• SMILES to InChI - Convert SMILES to InChI string online.
• InChIKey to SMILES - An online tool for converting (resolving) InChIKeys to SMILES strings.
• Mol Editor - An online editor for Mol files.
• Organic chemistry pronunciation guide - A pronunciation guide for organic chemistry terms.
• IUPAC Multiplicative Prefix Generator - Generate IUPAC multiplicative prefixes for naming chemical compounds.
• Structural Formula Viewer - View structural formulas of chemical compounds.
• Working with ChemDraw JS - ChemDraw JS makes it possible to create, view, and edit chemical structures in the browser.
• Awesome ChemDraw - A curated list of awesome ChemDraw resources, tutorials, and more.
• 3D Mol Viewer - View molecular models in 3D.
• Molecule of the Day - Discover a new molecule every day.
• Chemical kerning - Improving the appearance of chemical structures by carefully adjusting the spacing between atoms and bonds.
• Periodic Table - View the periodic table of the elements.
• Supramolecular chemistry pronunciation guide - A pronunciation guide for terms in supramolecular chemistry.
• Chemical elements pronunciation guide - A pronunciation guide for chemical elements.
• Big Chemical Structures - A collection of elaborate, large-format chemical structure depictions. Discover the fine details of chemical structures in their own right.
• Big Chemical Elements - A systematic, visual guide to the chemical elements.
• Biochemistry pronunciation guide - A pronunciation guide for biochemistry terms.