Prediction of Standard Enthalpy of Formation by a QSPR Model
The standard enthalpy of formation of 1115 compounds from all chemicalgroups, were predicted using genetic algorithm-based multivariate linear regression (GA-MLR). The obtained multivariate linear five descriptors model by GA-MLR has correlationcoefficient ( R 2 = 0.9830 ). All molecular descriptors...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2007-05-01
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| Series: | International Journal of Molecular Sciences |
| Subjects: | |
| Online Access: | http://www.mdpi.com/1422-0067/8/5/407/ |