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 | Virtual Screening Efficient virtual high-content screening using a distance-aware transformer model. February 9, 2023
Drug Discovery | Machine Learning | Pharmacology Prediction of bioactivities of microsomal prostaglandin E synthase-1 inhibitors by machine learning algorithms. February 8, 2023
Bioinformatics | Drug Discovery | Pharmacology How to approach machine learning-based prediction of drug/compound-target interactions. February 7, 2023
Artificial Intelligence | Drug Discovery | Pharmaceutical Sciences Chemical language models for de novo drug design: Challenges and opportunities. February 4, 2023
Chemistry | Drug Discovery Graph Neural Tree: A novel and interpretable deep learning-based framework for accurate molecular property predictions. February 3, 2023
Drug Discovery | Oncology Functional microRNA-Targeting Drug Discovery by Graph-Based Deep Learning. January 30, 2023
Chemistry | Drug Discovery | Pharmacology Attention-Based Graph Neural Network for Molecular Solubility Prediction. January 30, 2023
Bioinformatics | Drug Discovery | Pharmacology DeepMPF: deep learning framework for predicting drug-target interactions based on multi-modal representation with meta-path semantic analysis. January 26, 2023
Bioinformatics | Computational Biology | Drug Discovery CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism. January 23, 2023
Bioinformatics | Drug Discovery | Structural Biology Improving Protein-Ligand Interaction Modeling with cryo-EM Data, Templates, and Deep Learning in 2021 Ligand Model Challenge. January 21, 2023
Biochemistry | Drug Discovery | Structural Biology Exploring the Structural Variability of Dynamic Biological Complexes by Single-Particle Cryo-Electron Microscopy. January 21, 2023