A deep generative model for molecule optimization via one fragment modification
Ziqi Chen, Martin Renqiang Min, Srinivasan Parthasarathy, Xia Ning
Topics & Concepts
Fragment (logic)Generative grammarGenerative modelComputer scienceComputational biologyArtificial intelligenceAlgorithmBiologyComputational Drug Discovery MethodsMachine Learning in Materials ScienceChemical Synthesis and Analysis