De Novo Molecule Design Using Molecular Generative Models Constrained by Ligand-Protein Interactions
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DOI: 10.1021/acs.jcim.2c00177
Abstract: In recent years, molecular deep generative models have attracted much attention for its application in de novo drug design. The data-driven molecular deep generative model approximates the high dimensional distribution of the chemical space through… read more here.
Keywords: interaction; ligand protein; generative models; design ... See more keywords