Drug Discovery | Pharmacology DeepScaffold: A Comprehensive Tool for Scaffold-based De Novo Drug Discovery Using Deep Learning. December 6, 2019
Aging Research | Artificial Intelligence | Drug Discovery Latest advances in aging research and drug discovery. November 26, 2019
Bioinformatics | Clinical Research | Drug Discovery | Proteomics DeepIso: A Deep Learning Model for Peptide Feature Detection from LC-MS map. November 21, 2019
Computational Biology | Drug Discovery CapsCarcino: A novel sparse data deep learning tool for predicting carcinogens. October 31, 2019
Drug Discovery | Machine Learning Deep Transferable Compound Representation Across Domains and Tasks for Low Data Drug Discovery. October 30, 2019
chemical forensics | Drug Discovery | Metabolomics Deep learning to generate in silico chemical property libraries and candidate molecules for small molecule identification in complex samples. October 29, 2019
Artificial Intelligence | Drug Discovery | Pharmacology ADMET Evaluation in Drug Discovery. 19. Reliable Prediction of Human Cytochrome P450 Inhibition Using Artificial Intelligence Approaches. October 23, 2019
Biological Sciences | Chemical Biology | Drug Discovery DeepScreening: a deep learning-based screening web server for accelerating drug discovery. October 23, 2019
Cell Biology | Drug Discovery | Machine Learning Investigation of Machine Intelligence in Compound Cell Activity Classification. October 3, 2019
Bioinformatics | Drug Discovery | Pharmacology Big Data and Artificial Intelligence Modeling for Drug Discovery. September 13, 2019
Computational Toxicology | Drug Discovery Deep Learning-Based Structure-Activity Relationship Modeling for Multi-Category Toxicity Classification: A Case Study of 10K Tox21 Chemicals With High-Throughput Cell-Based Androgen Receptor Bioassay Data. August 30, 2019
Chemistry | Drug Discovery | Pharmaceutical Sciences Pushing the boundaries of molecular representation for drug discovery with graph attention mechanism. August 13, 2019