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Updated: Jul 9, 2026

Large-scale Reconstructions and Independent, Unbiased Clustering Based on Morphological Metrics to Classify Neurons in Selective Populations
Published on: February 15, 2017
Quantitative structure-mobility relationship study of a diverse set of organic acids using classification and
Mehdi Jalali-Heravi1, Parviz Shahbazikhah
1Department of Chemistry, Sharif University of Technology, Tehran, Iran. jalali@sharif.edu
Abstract:
A quantitative structure-mobility relationship was developed to accurately predict the electrophoretic mobility of organic acids. The absolute electrophoretic mobilities (mu(0)) of a diverse dataset consisting of 115 carboxylic and sulfonic acids were investigated. A set of 1195 zero- to three-dimensional descriptors representing various structural characteristics was calculated for each molecule in the dataset. Classification and regression trees were successfully used as a descriptor selection method. Four descriptors were selected and used as inputs for adaptive neuro-fuzzy inference system. The root mean square errors for the calibration and prediction sets are 1.61 and 2.27, respectively, compared with 3.60 and 3.93, obtained from a previous mechanistic model.
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