Title : Predicting inhibitors of acetylcholinesterase by regression and classification machine learning approaches with combinations of molecular descriptors.

Pub. Date : 2009 Sep

PMID : 19603258






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1 MATERIALS AND METHODS: Support vector machine classification and regression models with molecular descriptors derived from Shape Signatures and the Molecular Operating Environment (MOE) application software were built and tested using a set of piperidine AChE inhibitors (N = 110). piperidine acetylcholinesterase (Cartwright blood group) Homo sapiens