Bioinformatics | Drug Discovery | Pharmacology AttentionSiteDTI: an interpretable graph-based model for drug-target interaction prediction using NLP sentence-level relation classification. July 11, 2022
Drug Discovery | Oncology Deep Learning and Structure-Based Virtual Screening for Drug Discovery against NEK7: A Novel Target for the Treatment of Cancer. July 9, 2022
Bioinformatics | Drug Discovery | Pharmacology DTITR: End-to-end drug-target binding affinity prediction with transformers. July 1, 2022
Diabetology | Drug Discovery Drug repositioning in drug discovery of T2DM and repositioning potential of antidiabetic agents. June 29, 2022
Chemistry | Drug Discovery | Pharmaceutical Sciences Exploring Deep Learning of Quantum Chemical Properties for Absorption, Distribution, Metabolism, and Excretion Predictions. June 27, 2022
Artificial Intelligence | Drug Discovery | Pharmacology A Knowledge Graph Embedding Based Approach to Predict the Adverse Drug Reactions Using a Deep Neural Network. June 26, 2022
Drug Discovery | Genomics | Hematology | Oncology Systems Drug Discovery for Diffuse Large B Cell Lymphoma Based on Pathogenic Molecular Mechanism via Big Data Mining and Deep Learning Method. June 24, 2022
Chemoinformatics | Drug Discovery | Machine Learning Multi-channel GCN ensembled machine learning model for molecular aqueous solubility prediction on a clean dataset. June 23, 2022
Bioinformatics | Drug Discovery | Pharmacology Identification of pan-kinase-family inhibitors using graph convolutional networks to reveal family-sensitive pre-moieties. June 22, 2022
Bioinformatics | Drug Discovery Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery. June 20, 2022
Bioinformatics | Drug Discovery | Pharmacology Exploring kinase family inhibitors and their moiety preferences using deep SHapley additive exPlanations. June 20, 2022
Drug Discovery | Pharmacology Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation. June 17, 2022