Quantifying Functional-Group-like Structural Fragments in Molecules and Its Applications in Drug Design
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.3c00050
Abstract: A functional group in a molecule is a structural fragment consisting of a few atoms or a single atom that imparts reactivity to a molecule. Hence, defining functional groups is crucial in chemistry to predict… read more here.
Keywords: fingerprint based; quantifying functional; structural fragments; functional group ... See more keywords