Expanding Bioactive Fragment Space with the Generated Database GDB-13s (article)
Expanding Bioactive Fragment Space with the Generated Database GDB-13s is a scholarly work by Jean-Louis Reymond, published in 2023 in ''Journal of Chemical Information and Modeling''. The main subjects of the publication include drug discovery, fragment, combinatorial chemistry, database, PubChem, chemistry, computer science, molecule, chemical space, peptide synthesis, computational biology, drug design, ChEMBL, ring, stereochemistry, natural product, and glossary of archaeology. The authors also find that many RFs and AFs are enriched in bioactive vs inactive compounds from ChEMBL.