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
Chemoinformatics | Drug Discovery | Pharmaceutical Sciences Deep Learning-Based construction of a Drug-Like compound database and its application in virtual screening of HsDHODH inhibitors. March 22, 2024
Biomedical imaging | Drug Discovery | Machine Learning | Pharmaceuticals Decoding phenotypic screening: A comparative analysis of image representations. March 21, 2024
Bioinformatics | Computational Biology | Drug Discovery Contrastive pre-training and 3D convolution neural network for RNA and small molecule binding affinity prediction. March 20, 2024
Biochemistry | Drug Discovery | Structural Biology Computational design of soluble functional analogues of integral membrane proteins. March 18, 2024
Drug Discovery | Oncology | Pharmacology Kinome-Wide Virtual Screening by Multi-Task Deep Learning. March 13, 2024
Bioinformatics | Computational Biology | Drug Discovery Prediction of protein-ATP binding residues using multi-view feature learning via contextual-based co-attention network. March 9, 2024