Bioinformatics | Computational Biology | Drug Discovery ULDNA: integrating unsupervised multi-source language models with LSTM-attention network for high-accuracy protein-DNA binding site prediction. February 13, 2024
Drug Discovery | Oncology PECAN Predicts Patterns of Cancer Cell Cytostatic Activity of Natural Products Using Deep Learning. February 13, 2024
Bioinformatics | Drug Discovery | Protein Engineering PSSP-MFFNet: A Multifeature Fusion Network for Protein Secondary Structure Prediction. February 12, 2024
Agrochemistry | Chemistry | Drug Discovery | Food Chemistry | Natural Product Research The pursuit of accurate predictive models of the bioactivity of small molecules. February 9, 2024
Chemical Toxicology | Drug Discovery | Ophthalmology In silico prediction of ocular toxicity of compounds using explainable machine learning and deep learning approaches. February 8, 2024
Bioinformatics | Disease mechanisms | Drug Discovery Predicting Protein Functions Based on Heterogeneous Graph Attention Technique. February 6, 2024
Bioinformatics | Computational Biology | Drug Discovery DynamicBind: predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model. February 5, 2024
Bioinformatics | Drug Discovery | Proteomics MucLiPred: Multi-Level Contrastive Learning for Predicting Nucleic Acid Binding Residues of Proteins. February 1, 2024
Bioinformatics | Drug Discovery | Pharmaceutical Chemistry Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. February 1, 2024
Bioinformatics | Computational Biology | Drug Discovery | Pharmacology Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning. January 31, 2024
Bioinformatics | Computational Biology | Drug Discovery SAGDTI: self-attention and graph neural network with multiple information representations for the prediction of drug-target interactions. January 29, 2024
Computational Chemistry | Drug Discovery | Pharmacology SolPredictor: Predicting Solubility with Residual Gated Graph Neural Network. January 23, 2024