Pharmacology | Virology The search for new efficient inhibitors of SARS-COV-2 through the drug design developed by artificial intelligence. November 24, 2022
Drug Development | Pharmacology | Virology Investigation of berberine and its derivatives in Sars Cov-2 main protease structure by molecular docking, PROTOX-II and ADMET methods: in machine learning and in silico study. November 12, 2022
Pharmacodynamics | Pharmacokinetics | Quantitative Structure-Activity Relationships Application of machine learning techniques to the analysis and prediction of drug pharmacokinetics. November 12, 2022
Oncology | Pharmacology Design, synthesis, and biological evaluation of pyrrolopyrimidine derivatives as novel Bruton’s tyrosine kinase (BTK) inhibitors. August 8, 2022
Molecular Imaging | Pharmacology | Radiology Spatial quantification of clinical biomarker pharmacokinetics through deep learning-based segmentation and signal-oriented analysis of MSOT data. May 11, 2022
Clinical Trials | Drug Development | Pharmacology HINT: Hierarchical interaction network for clinical-trial-outcome predictions. April 25, 2022
Drug Discovery | Pharmacology Prediction of In Vivo Pharmacokinetic Parameters and Time-Exposure Curves in Rats Using Machine Learning from the Chemical Structure. April 12, 2022
Drug Discovery | Pharmacology Plasma protein binding prediction focusing on residue-level features and circularity of cyclic peptides by deep learning. December 1, 2021
Clinical Pharmacology Neural-ODE for pharmacokinetics modeling and its advantage to alternative machine learning models in predicting new dosing regimens. July 26, 2021
Bioinformatics | Pharmacology The next generation of machine learning in DDIs prediction. January 28, 2021
Pharmacology Prediction of total drug clearance in humans using animal data: proposal of a multimodal learning method based on deep learning. January 26, 2021
Bioinformatics | Drug Discovery | Pharmacology Optimizing Pharmacokinetic Property Prediction Based on Integrated Datasets and a Deep Learning Approach. August 17, 2020