Drug Development | Oncology G-ACP: a machine learning approach to the prediction of therapeutic peptides for gastric cancer. March 7, 2024
Bioinformatics | Drug Development Heterogeneous sampled subgraph neural networks with knowledge distillation to enhance double-blind compound-protein interaction prediction. March 6, 2024
Drug Development | Pharmacology | Toxicology ToxMPNN: A deep learning model for small molecule toxicity prediction. February 27, 2024
Chemistry | Drug Development | Pharmacology ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization. February 22, 2024
Bioinformatics | Drug Development | Pharmaceuticals Deep learning for advancing peptide drug development: Tools and methods in structure prediction and design. February 22, 2024
Computational Biology | Drug Development Computational drug development for membrane protein targets. February 16, 2024
Bioinformatics | Drug Development | Machine Learning | Pharmacology MFD-GDrug: Multimodal feature fusion-based deep learning for GPCR-drug interaction prediction. January 29, 2024
Bioinformatics | Drug Development | Virology Current Development of Data Resources and Bioinformatics Tools for Anticoronavirus Peptide. January 24, 2024
Biomedical Research | Drug Development Joint masking and self-supervised strategies for inferring small molecule-miRNA associations. January 23, 2024
Bioinformatics | Drug Development | Microbiology iMRSAPred: Improved Prediction of Anti-MRSA Peptides Using Physicochemical and Pairwise Contact-Energy Properties of Amino Acids. January 22, 2024
Computational Chemistry | Drug Development | Pharmaceutical Sciences DrugHIVE: A Deep Hierarchical Variational Autoencoder for the Structure-Based Design of Drug-Like Molecules. January 8, 2024
Drug Development | Pharmaceutical Chemistry Machine learning-assisted search for novel coagulants: When machine learning can be efficient even if data availability is low. January 4, 2024