Drug Discovery | Physiology | Protein structure prediction Structural modeling of ion channels using AlphaFold2, RoseTTAFold2, and ESMFold. March 6, 2024
Biochemistry | Computational Biology | Drug Discovery Enhancing Generalizability in Protein-Ligand Binding Affinity Prediction with Multimodal Contrastive Learning. March 5, 2024
Chemistry | Drug Discovery | Pharmacology Optimization of binding affinities in chemical space with generative pre-trained transformer and deep reinforcement learning. March 4, 2024
Drug Discovery Deep reinforcement learning enables better bias control in benchmark for virtual screening. February 25, 2024
Drug Discovery | Molecular Biology | Pharmacology Generating Potential RET-Specific Inhibitors Using a Novel LSTM Encoder-Decoder Model. February 24, 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
Artificial Intelligence | Drug Discovery | Healthcare | Pharmaceuticals Integrating Artificial Intelligence for Drug Discovery in the Context of Revolutionizing Drug Delivery. February 24, 2024
Drug Discovery | Systems Biology A deep learning dataset for sample preparation artefacts detection in multispectral high-content microscopy. February 23, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Sciences A domain-label-guided translation model for molecular optimization. February 23, 2024
Bioinformatics | Drug Discovery | Pharmacology Machine Learning for Sequence and Structure-Based Protein-Ligand Interaction Prediction. February 22, 2024
Drug Discovery | Medicinal Chemistry Adapting Deep Learning QSPR Models to Specific Drug Discovery Projects. February 19, 2024
Bioinformatics | Drug Discovery | Machine Learning GSL-DTI: Graph Structure Learning Network for Drug-Target Interaction Prediction. February 15, 2024