Please use this identifier to cite or link to this item: https://dspace.ctu.edu.vn/jspui/handle/123456789/70340
Title: QSPR modelling of stability constants of metal thiosemicarbazone complexes using multivariate regression methods and artificial neural network
Authors: Nguyen, Minh Quang
Tran, Nguyen Minh An
Nguyen, Hoang Minh
Tran, Xuan Mau
Pham, Van Tat
Keywords: QSPR
Ordinary least squareregression
Partialleast square
Primary component regression
Issue Date: 2018
Series/Report no.: Tạp chí Khoa học và Công nghệ Trường Đại học Công nghiệp Thành pố Hồ Chí Minh;Số 36A - Tr.186-197
Abstract: In this study the stability constants of metal-thiosemicarbazone complexes, log β11 were determined by using the quantitative structure property relationship (QSPR) models. The molecular descriptors, physicochemical and quantum descriptors of complexes were generated from molecular geometric structure and semi-empirical quantum calculation PM7 and PM7/sparkle.
URI: https://dspace.ctu.edu.vn/jspui/handle/123456789/70340
ISSN: 2525-2267
Appears in Collections:Khoa học và Công nghệ Trường Đại học Công nghiệp Thành phố Hồ Chí Minh

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