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Chemical Research | Drug Discovery | Materials Science VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search. November 22, 2023
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry DNMG: Deep molecular generative model by fusion of 3D information for de novo drug design. February 10, 2023
Drug Discovery | Pharmacology DeepScaffold: A Comprehensive Tool for Scaffold-based De Novo Drug Discovery Using Deep Learning. December 6, 2019
Chemistry | Computer Science Exploring the GDB-13 chemical space using deep generative models. March 29, 2019
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