Drug Development | Pharmacology PIDiff: Physics informed diffusion model for protein pocket-specific 3D molecular generation. July 27, 2024
Bioinformatics | Oncology | Pharmacology Integration of autoencoder and graph convolutional network for predicting breast cancer drug response. July 25, 2024
Oncology | Pharmacology Discovery of Potent Selective HDAC6 Inhibitors with 5-Phenyl-1-indole Fragment: Virtual Screening, Rational Design, and Biological Evaluation. July 23, 2024
Computational Biology | Drug Discovery | Pharmacology PLMACPred prediction of anticancer peptides based on protein language model and wavelet denoising transformation. July 23, 2024
Deep Learning | Pharmacology | Traditional Chinese Medicine SYSTCM: A systemic web platform for objective identification of pharmacological effects based on interplay of “traditional Chinese Medicine-components-targets”. July 23, 2024
Pharmacology | Traditional Chinese Medicine | Transcriptomics Construction of a multi-tissue compound-target interaction network of Qingfei Paidu decoction in COVID-19 treatment based on deep learning and transcriptomic analysis. July 22, 2024
Bioinformatics | Molecular Biology | Pharmacology ToxinPred 3.0: An improved method for predicting the toxicity of peptides. July 22, 2024
Bioinformatics | Drug Development | Pharmacology Efficient Deep Model Ensemble Framework for Drug-Target Interaction Prediction. July 22, 2024
Bioinformatics | Drug Discovery | Pharmacology HydraScreen: A Generalizable Structure-Based Deep Learning Approach to Drug Discovery. July 22, 2024
Biochemistry | Pharmacology | Toxinology A personal view on the history of toxins: from ancient times to artificial intelligence. July 22, 2024
Artificial Intelligence | Bioinformatics | Pharmacology Introducing enzymatic cleavage features and transfer learning realizes accurate peptide half-life prediction across species and organs. July 22, 2024
Computational Biology | Neurology | Pharmacology δ-Conotoxin Structure Prediction and Analysis through Large-Scale Comparative and Deep Learning Modeling Approaches. July 21, 2024