Monte Carlo based QSGFEAR: prediction of Gibb's free energy of activation at different temperatures using SMILES based descriptors
| Autor: | Rahul Singh, Parvin Kumar, Meena Devi, Sohan Lal, Ashwani Kumar, Jayant Sindhu, Alla P. Toropova, Andrey A. Toropov, Devender Singh |
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| Rok vydání: | 2022 |
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| Zdroj: | New Journal of Chemistry. 46:19062-19072 |
| ISSN: | 1369-9261 1144-0546 |
| DOI: | 10.1039/d2nj03515d |
| Popis: | Monte Carlo optimization based QSGFEAR model development using CII results in the formation of more reliable, robust and predictive models. |
| Databáze: | OpenAIRE |
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