المؤلفون: Fergus Boyles (6724589), Charlotte M Deane (6728005), Garrett Morris (5880359)

مصطلحات موضوعية: Bioinformatics and Computational Biology, Computational Chemistry and Modeling, Chemoinformatics - Computational Chemistry, Scoring Functions, Random Forest models, PDBbind 2018 data, RDKit toolkit, Machine Learning Predictions, protein-ligand binding affinity prediction, Ligand docking

Relation: https://figshare.com/articles/preprint/Learning_from_Docked_Ligands_Ligand-Based_Features_Rescue_Structure-Based_Scoring_Functions_When_Trained_On_Docked_Poses/13637756

الاتاحة: https://doi.org/10.26434/chemrxiv.13637756.v1

المؤلفون: Fergus Boyles (10097299), Garrett Morris (5880359), Charlotte M Deane (6728005)

مصطلحات موضوعية: Bioinformatics, Cheminformatics, Computational Chemistry, pdbbind, DUD-E, CHEMBL, docked ligands

Relation: https://figshare.com/articles/dataset/Docked_poses_for_Learning_from_Docked_Ligands_Ligand-Based_Features_Rescue_Structure-Based_Scoring_Functions_When_Trained_On_Docked_Poses_/13713226

الاتاحة: https://doi.org/10.6084/m9.figshare.13713226.v1