European Journal of Medicinal Chemistry · 2022 · 36 citations · 20 references
PharmacyChemical BiologyMedicinal ChemistryDrug DesignDrug DiscoveryRecommender SystemsAtom Replacement StrategiesHeterocycle ReplacementMacrocyclic Drug DesignNatural Product Drug DiscoveryPotency OptimizationSelectivity OptimizationAromatic Ring ReplacementBenzene Ring ReplacementBiological Activity FeaturesHeteroaromatic Ring ReplacementPhenyl Ring ReplacementRing Atom ReplacementSubstituent Effects On Biological Activity
20
ChEMBL: towards direct deposition of bioassay data
David Méndez, Anna Gaulton, A. Patrícia Bento et al. · Nucleic Acids Research · 2018 · 2.4K citations · Full text