Chemistry | Pharmaceutical Sciences QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design. July 1, 2024
Drug Discovery | Machine Learning | Pharmacology Traditional Machine and Deep Learning for Predicting Toxicity Endpoints. January 8, 2023
Chemoinformatics deepGraphh: AI-driven web service for graph-based quantitative structure-activity relationship analysis. July 22, 2022
Chemoinformatics | Medicinal Chemistry | Pharmaceutical research Machine Learning in Chemoinformatics and Medicinal Chemistry. April 20, 2022
Chemoinformatics | Drug Discovery Evolution of Support Vector Machine and Regression Modeling in Chemoinformatics and Drug Discovery. March 19, 2022
Hepatology | Nephrology | Pharmacology Molecular Properties of Drugs Handled by Kidney OATs and Liver OATPs Revealed by Chemoinformatics and Machine Learning: Implications for Kidney and Liver Disease. October 23, 2021
Chemoinformatics | Pharmacology Deep Learning-Based Ligand Design Using Shared Latent Implicit Fingerprints from Collaborative Filtering. April 26, 2021
Medicinal Chemistry | Pharmaceutical Sciences Artificial intelligence in drug discovery: Recent advances and future perspectives. March 29, 2021
Chemoinformatics | Pharmaceutical Sciences Compressed graph representation for scalable molecular graph generation. January 12, 2021
Drug Discovery | Pharmaceutical Industry Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery. December 16, 2020
Chemoinformatics | Neurology | Pharmacology A Recurrent Neural Network model to predict blood-brain barrier permeability. October 3, 2020
Chemoinformatics | Computational Chemistry Inverse-QSPR for de novo design: a review. November 4, 2019