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Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems |
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| Authors: | Cruz-Monteagudo Maykel González-Díaz Humberto Agüero-Chapín Guillermín Santana Lourdes Borges Fernanda Domínguez Elena Rosa Podda Gianni Uriarte Eugenio |
| Institution: | Physico-Chemical Molecular Research Unit, Department of Organic Chemistry, Faculty of Pharmacy, University of Porto 4050-047, Porto, Portugal. |
| Abstract: | |
| Keywords: | chem‐informatics quantitative structure–property relationships Markov models free energy partition coefficients chemicals environmental distribution |
| 本文献已被 PubMed 等数据库收录！ | |