Chemistry | Pharmaceutical Sciences Learning Joint 2-D and 3-D Graph Diffusion Models for Complete Molecule Generation. July 8, 2024
Biochemistry | Drug Discovery | Pharmacology A pharmacophore-guided deep learning approach for bioactive molecular generation. October 6, 2023
Bioinformatics | Computational Chemistry | Pharmacology CProMG: controllable protein-oriented molecule generation with desired binding affinity and drug-like properties. June 30, 2023
Bioinformatics | Chemistry | Drug Discovery Molecule generation using transformers and policy gradient reinforcement learning. May 31, 2023
Bioinformatics | Computer Science | Pharmaceutical Sciences De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with Graph-based Molecular Quality Assessment. March 24, 2023
Artificial Intelligence | Bioinformatics | Drug Discovery Molecule generation toward target protein (SARS-CoV-2) using reinforcement learning-based graph neural network via knowledge graph. January 11, 2023
Drug Discovery | Molecular Biology | Pharmaceutical Sciences LIMO: Latent Inceptionism for Targeted Molecule Generation. October 4, 2022
Bioinformatics | Computer Science | Pharmaceutical Sciences Generating novel molecule for target protein (SARS-CoV-2) using drug-target interaction based on graph neural network. December 27, 2021
Drug design | Pharmaceutical research Comprehensive assessment of deep generative architectures for de novo drug design. December 20, 2021