PySmash: Python package and individual executable program for representative substructure generation and application
Sign Up to like & getrecommendations! Published in 2021 at "Briefings in bioinformatics"
DOI: 10.1093/bib/bbab017
Abstract: BACKGROUND Substructure screening is widely applied to evaluate the molecular potency and ADMET properties of compounds in drug discovery pipelines, and it can also be used to interpret QSAR models for the design of new… read more here.
Keywords: generation; representative substructures; python package; executable program ... See more keywords