Drug Discovery | Neuropsychiatry | Oncology | Pharmacology MTMol-GPT: De novo multi-target molecular generation with transformer-based generative adversarial imitation learning. June 26, 2024
Chemistry | Computational Biology | Drug design AnoChem: Prediction of chemical structural abnormalities based on machine learning models. May 29, 2024
Bioorganic Chemistry | Medicinal Chemistry Prospective de novo drug design with deep interactome learning. April 22, 2024
Drug Discovery | Machine Learning | Pharmaceutical research De Novo Drug Design Using Transformer-Based Machine Translation and Reinforcement Learning of an Adaptive Monte Carlo Tree Search. February 24, 2024
Biochemistry | Pharmacology Deep learning driven de novo drug design based on gastric proton pump structures. September 19, 2023
Bioinformatics | Drug Discovery | Pharmacology FSM-DDTR: End-to-end feedback strategy for multi-objective De Novo drug design using transformers. August 9, 2023
Bioinformatics | Pharmacology | Precision Medicine De novo drug design based on patient gene expression profiles via deep learning. July 21, 2023
Drug Development | Pharmaceutical research Exploring the Advantages of Quantum Generative Adversarial Networks in Generative Chemistry. May 12, 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 | Drug design | Pharmaceutical Chemistry UnCorrupt SMILES: a novel approach to de novo design. February 15, 2023
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry DNMG: Deep molecular generative model by fusion of 3D information for de novo drug design. February 10, 2023
Artificial Intelligence | Drug Discovery | Pharmaceutical Sciences Chemical language models for de novo drug design: Challenges and opportunities. February 4, 2023