Expanding Bioactive Fragment Space with the Generated Database GDB-13s
Expanding Bioactive Fragment Space with the Generated Database GDB-13s is a scholarly work by Jean-Louis Reymond, published in 2023. The main subjects of the publication include drug discovery, fragment, combinatorial chemistry, database, PubChem, chemistry, molecule, chemical space, peptide synthesis, computational biology, drug design, ChEMBL, ring, stereochemistry, natural product, and glossary of archaeology. The authors then search the 28,246,012 RFs and 2,640,023 AFs in the generated database GDB-13s (99,394,177 molecules up to 13 atoms following simple functional group and ring strain criteria) for subsets resembling ChEMBL bioactive RFs and AFs.