Fig_1.tif (426.89 kB)
ROC plot for the three machine learning models generated using (A) 154 descriptors.
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posted on 2015-06-12, 04:20 authored by Salma Jamal, Sukriti Goyal, Asheesh Shanker, Abhinav Grover(B) 10 BestFirst descriptors.
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Large unscreened chemical librariesglutamate receptorssubstructure fragment analysismemory losscompound2 Dneurodegenerative disordernovel hitsNMDRpredefined dictionary.ResultsThebinding mechanismsSequential Minimization OptimizationSubstructure fingerprintdocking methodsdrug discovery processsubstructure patternschemical librariesdocking protocolReduced Cognitive Deficitsrandom forestroot causemoleculechemical descriptorsstudy dealsSTEP inhibitorsalgorithmtarget proteinMD simulation studies
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