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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 |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| _file_ Restricted Access | 3.28 MB | Adobe PDF | ||
| Your IP: 3.149.230.44 |
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