Chemical sciences | Drug Development DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning. October 26, 2023
Bioinformatics | Drug Development | Molecular Biology SaLT&PepPr is an interface-predicting language model for designing peptide-guided protein degraders. October 24, 2023
Drug Development | Radiology Artificial intelligence-driven shimming for parallel high field nuclear magnetic resonance. October 20, 2023
Bioinformatics | Drug Development | Immunology Accelerated NLRP3 inflammasome-inhibitory peptide design using a recurrent neural network model and molecular dynamics simulations. October 19, 2023
Bioinformatics | Drug Development | Pharmacology Pmf-cpi: assessing drug selectivity with a pretrained multi-functional model for compound-protein interactions. October 14, 2023
Drug Development | Pharmacology Prediction of Small-Molecule Developability Using Large-Scale ADMET Models. October 10, 2023
Drug Development | Organic Chemistry Retrosynthesis prediction with an interpretable deep-learning framework based on molecular assembly tasks. October 3, 2023
Drug Development | Pharmacology An Integration Framework of Secure Multiparty Computation and Deep Neural Network for Improving Drug-Drug Interaction Predictions. September 14, 2023
Bioinformatics | Drug Development | Pharmaceutical Sciences Recent Deep Learning Applications to Structure-Based Drug Design. September 7, 2023
Drug Development | Patient Safety | Pharmacology HF-DDI: Predicting Drug-Drug Interaction Events Based on Multimodal Hybrid Fusion. August 18, 2023
Drug Development | Pharmacology Recent Advances in Toxicity Prediction: Applications of Deep Graph Learning. August 10, 2023
Drug Development | Infectious Diseases | Pharmacology A deep learning-based drug repurposing screening and validation for anti-SARS-CoV-2 compounds by targeting the cell entry mechanism. July 19, 2023