Computational Biology | Infectious Diseases | Pharmacology Computational pharmacology: New avenues for COVID-19 therapeutics search and better preparedness for future pandemic crises. October 27, 2022
Drug interactions | Machine Learning | Pharmacology Machine Learning Models Identify New Inhibitors for Human OATP1B1. October 21, 2022
Bioinformatics | Computational Biology | Pharmacology BRMCF : Binary Relevance and MLSMOTE based Computational Framework to Predict Drug Functions from Chemical and Biological Properties of Drugs. October 19, 2022
Bioinformatics | Pharmacology | Virology Identification of Diosmin and Flavin Adenine Dinucleotide as Repurposing Treatments for Monkeypox Virus: A Computational Study. October 19, 2022
Bioinformatics | Chemistry | Pharmacology Interpretable Machine Learning Models for Molecular Design of Tyrosine Kinase Inhibitors Using Variational Autoencoders and Perturbation-Based Approach of Chemical Space Exploration. October 19, 2022
Machine Learning | Pharmacology Modeling DTA by Combining Multiple-Instance Learning with a Private-Public Mechanism. October 19, 2022
Chemistry | Pharmacology Conformer-RL: A deep reinforcement learning library for conformer generation. October 19, 2022
Microbiology | Pharmacology De novo design of anti-tuberculosis agents using a structure-based deep learning method. October 18, 2022
Bioinformatics | Computational Biology | Pharmacology MHADTI: predicting drug-target interactions via multiview heterogeneous information network embedding with hierarchical attention mechanisms. October 15, 2022
Chemistry | Pharmacology MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction. October 15, 2022
Bioinformatics | Biology | Pharmacology Machine Learning Using Neural Networks for Metabolomic Pathway Analyses. October 13, 2022
Drug Discovery | Pharmacology Prediction of Drug-likeness using Graph Convolutional Attention Network. October 12, 2022