Computer Science | Drug Discovery Developing an Improved Cycle Architecture for AI-Based Generation of New Structures Aimed at Drug Discovery. April 13, 2024
Artificial Intelligence | Drug Discovery | Pharmacology Prediction of drug-target binding affinity based on deep learning models. April 12, 2024
Bioinformatics | Drug Discovery | Pharmacology Language models for the prediction of SARS-CoV-2 inhibitors. April 11, 2024
Bioinformatics | Drug Discovery | Pharmacology DPI_CDF: druggable protein identifier using cascade deep forest. April 5, 2024
Bioinformatics | Drug Discovery | Pharmacology A Hierarchical Graph Neural Network Framework for Predicting Protein-Protein Interaction Modulators with Functional Group Information and Hypergraph Structure. April 2, 2024
Bioinformatics | Drug Discovery | Proteomics Integrating Protein Structure Prediction and Bayesian Optimization for Peptide Design. April 1, 2024
Drug Discovery | Machine Learning | Pharmacology Evaluation of machine learning models for cytochrome P450 3A4, 2D6, and 2C9 inhibition. March 28, 2024
Bioinformatics | Computational Biology | Drug Discovery | Pharmacology Absorption Distribution Metabolism Excretion and Toxicity Property Prediction Utilizing a Pre-Trained Natural Language Processing Model and Its Applications in Early-Stage Drug Development. March 28, 2024
Bioinformatics | Drug Discovery | Pharmacology Drug Repositioning via Graph Neural Networks: Identifying Novel JAK2 Inhibitors from FDA-Approved Drugs through Molecular Docking and Biological Validation. March 28, 2024
Drug Discovery | Pharmacology A dual diffusion model enables 3D molecule generation and lead optimization based on target pockets. March 27, 2024
Drug Discovery | Machine Learning | Pharmacology Property-guided few-shot learning for molecular property prediction with dual-view encoder and relation graph learning network. March 27, 2024
Computational Chemistry | Drug Discovery LGGA-MPP: Local Geometry-Guided Graph Attention for Molecular Property Prediction. March 22, 2024