Indexing Ultrafast Shape-Based Descriptors in MongoDB to Identify TLR4 Pathway Agonists
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00156
Abstract: A method is presented for an ultrafast shape-based search workflow for the screening of large compound collections, i.e., those of vendors. The three-dimensional shape of a molecule dictates its biological activity by enabling the molecule… read more here.
Keywords: based descriptors; molecule; shape based; ultrafast shape ... See more keywords