Utilizing deep learning to explore chemical space for drug lead optimization
Rajkumar Chakraborty, Yasha Hasija
Topics & Concepts
Chemical spacechEMBLComputer scienceAutoencoderChemical databaseVirtual screeningArtificial intelligenceVariety (cybernetics)Representation (politics)Machine learningDrug discoveryDeep learningChemistryBiochemistryOrganic chemistryPolitical sciencePoliticsLawComputational Drug Discovery MethodsMachine Learning in Materials ScienceAnalytical Chemistry and Chromatography