المؤلفون: José Jiménez-Luna (10195536), Miha Skalic (5004407), Nils Weskamp (1235919), Gisbert Schneider (17096)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, network models, property prediction, plasma protein binding, property cliffs, hERG channel inhibition, pharmacophore motifs, gradients explainable, Coloring Molecules, molecule generation, Preclinical Relevance Assessment Graph, drug discovery tasks, modeling transparency, XAI approach, cytochrome P 450 inhibition

Relation: https://figshare.com/articles/journal_contribution/Coloring_Molecules_with_Explainable_Artificial_Intelligence_for_Preclinical_Relevance_Assessment/14114460

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01344.s002

المؤلفون: José Jiménez-Luna (10195536), Miha Skalic (5004407), Nils Weskamp (1235919), Gisbert Schneider (17096)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Genetics, Molecular Biology, Pharmacology, Biotechnology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, network models, property prediction, plasma protein binding, property cliffs, hERG channel inhibition, pharmacophore motifs, gradients explainable, Coloring Molecules, molecule generation, Preclinical Relevance Assessment Graph, drug discovery tasks, modeling transparency, XAI approach, cytochrome P 450 inhibition

Relation: https://figshare.com/articles/dataset/Coloring_Molecules_with_Explainable_Artificial_Intelligence_for_Preclinical_Relevance_Assessment/14114457

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01344.s001