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Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge |
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| Authors: | Lopez Kenneth Pinheiro Silvana Zamora William J |
| Institution: | 1.School of Chemistry, University of Costa Rica, San Pedro, San José, Costa Rica ;2.Advanced Computing Lab (CNCA), National High Technology Center (CeNAT-CONARE), Pavas, San José, Costa Rica ;3.Institute of Exact and Natural Sciences, Federal University of Pará, Belém, Pará, 66075-110, Brazil ; |
| Abstract: | Journal of Computer-Aided Molecular Design - A multiple linear regression model called MLR-3 is used for predicting the experimental n-octanol/water partition coefficient (log PN) of 22... |
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