chemical identifiers (CAS, PubChemID, SMILES,InChI, InChI keys, names) from text search

R Interface to the ClassyFire REST API

This repository contains the query and processing code to support the publication "Wikipedia curation and the US-EPA CompTox Chemicals Dashboard."

A build-from-scratch cnn-transformer model for translating 2d chemical structures to InChI notations

A tool to deconstruct MarkInChi codes. It only understands a small subset of a draft of a MarkInChI syntax, and does not make use of the pseudo-element facility (Zz) of InChI v1.06

A website which converts an InChI key for a chemical into a QR code which directs to its relevant PubChem page

InChI for NodeJS/TypeScript