medicinal-chemistry
Local and reproducible route auditing for AiZynthFinder, Syntheseus and RENKIN — plus a portable Rust retrosynthesis engine.
Molecular Processing Made Easy.
Computational chemistry platform designed to accelerate lead optimization by generating synthetically accessible chemical space.
Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b01220)
