Pharmacology | Toxicology GraphADT: Empowering interpretable predictions of acute dermal toxicity with Multi-View graph pooling and structure remapping. July 5, 2024
Cardiology | Pharmacology Machine learning and deep learning approaches for enhanced prediction of hERG blockade: a comprehensive QSAR modeling study. July 5, 2024
Chemoinformatics | Computational Biology | Pharmacology Calibrated geometric deep learning improves kinase-drug binding predictions. July 4, 2024
Biostatistics | Pharmacology Mixed effect estimation in deep compartment models: Variational methods outperform first-order approximations. July 4, 2024
Oncology | Pharmacology Docking Score ML: Target-Specific Machine Learning Models Improving Docking-Based Virtual Screening in 155 Targets. July 3, 2024
Biotechnology | Pharmacology Antibody design using deep learning: from sequence and structure design to affinity maturation. July 3, 2024
Microbiology | Pharmacology A graph neural network approach for predicting drug susceptibility in the human microbiome. July 2, 2024
Bioinformatics | Oncology | Pharmacology DKPE-GraphSYN: a drug synergy prediction model based on joint dual kernel density estimation and positional encoding for graph representation. July 1, 2024
Genetics | Oncology | Pharmacology Novel progressive deep learning algorithm for uncovering multiple single nucleotide polymorphism interactions to predict paclitaxel clearance in patients with nonsmall cell lung cancer. July 1, 2024
Bioinformatics | Drug Discovery | Pharmacology PepExplainer: An explainable deep learning model for selection-based macrocyclic peptide bioactivity prediction and optimization. June 30, 2024
Bioinformatics | Pharmacology VmmScore: An umami peptide prediction and receptor matching program based on a deep learning approach. June 30, 2024
Bioinformatics | Drug Discovery | Pharmacology Enhancing generalizability and performance in drug-target interaction identification by integrating pharmacophore and pre-trained models. June 28, 2024