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 | Chemistry | Drug Discovery Exploring chemical space for lead identification by propagating on chemical similarity network. September 8, 2023
Molecular Biology | Pharmaceutical Chemistry Macrocyclization of linear molecules by deep learning to facilitate macrocyclic drug candidates discovery. July 28, 2023
Medicinal Chemistry | Pharmacology DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space. June 5, 2023
Cheminformatics | Drug Discovery | Material Science Magicmol: a light-weighted pipeline for drug-like molecule evolution and quick chemical space exploration. April 26, 2023
Computational Chemistry | Drug Discovery | Pharmaceutical Chemistry MolSearch: Search-based Multi-objective Molecular Generation and Property Optimization. April 14, 2023
Chemistry | Drug design | Life Sciences Transmol: repurposing a language model for molecular generation. April 28, 2022
Chemistry | Pharmaceutical Sciences Systemic evolutionary chemical space exploration for drug discovery. April 2, 2022
Artificial Intelligence | Chemistry Using deep neural networks to explore chemical space. December 17, 2021