Navigating a 1E+60 Chemical Space of Peptide/Peptoid Oligomers.
Publisher DOI
PubMed ID
39390672
Abstract
Herein we report a virtual library of 1E+60 members, a common estimate for the size of the drug-like chemical space. The library consists of linear or cyclic oligomers forming molecules within the size range of peptide drugs. We demonstrate ligand-based virtual screening using a genetic algorithm.
Date Issued
2025-01
Publication Type
Article
Subject(s)
Subjects
chemical space
•
cheminformatics
•
genetic algorithm
•
therapeutic peptides
Language(s)
en
Additional Credits
Journal
Molecular Informatics
Publisher
Wiley-VCH Verlag
ISSN
1868-1743
Access(Rights)
open.access