ET‐score: Improving Protein‐ligand Binding Affinity Prediction Based on Distance‐weighted Interatomic Contact Features Using Extremely Randomized Trees …

M Rayka, MH Karimi‐Jafari, R Firouzi - Molecular Informatics, 2021 - Wiley Online Library
The molecular docking simulation is a key computational tool in modern drug discovery
research that its predictive performance strongly depends on the employed scoring …

ET-score: Improving Protein-ligand Binding Affinity Prediction Based on Distance-weighted Interatomic Contact Features Using Extremely Randomized Trees …

M Rayka, MH Karimi-Jafari… - Molecular …, 2021 - pubmed.ncbi.nlm.nih.gov
The molecular docking simulation is a key computational tool in modern drug discovery
research that its predictive performance strongly depends on the employed scoring …

ET-score: Improving Protein-ligand Binding Affinity Prediction Based on Distance-weighted Interatomic Contact Features Using Extremely Randomized Trees …

M Rayka, MH Karimi-Jafari, R Firouzi - Molecular Informatics, 2021 - europepmc.org
The molecular docking simulation is a key computational tool in modern drug discovery
research that its predictive performance strongly depends on the employed scoring …