ROC plot for the three machine learning models generated using (A) 154 descriptors.
<p>(B) 10 BestFirst descriptors.</p
Biological Sciences, Large unscreened chemical libraries, glutamate receptors, substructure fragment analysis, memory loss, compound, 2 D, neurodegenerative disorder, novel hits, NMDR, predefined dictionary.ResultsThe, binding mechanisms, Sequential Minimization Optimization, Substructure fingerprint, docking methods, drug discovery process, substructure patterns, chemical libraries, docking protocol, Reduced Cognitive Deficits, random forest, root cause, molecule, chemical descriptors, study deals, STEP inhibitors, algorithm, target protein, MD simulation studies
DOI identifier: 10.1371/journal.pone.0129370.g001
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