QSPR models for prediction of bovine serum albumin-water partition coefficients of organic compounds and drugs based on enhanced replacement method and …
Z Dashtbozorgi, H Golmohammadi… - Computational …, 2017 - Elsevier
A quantitative structure property relationship (QSPR) study based on enhanced replacement
method (ERM) and support vector machine (SVM) was used to correlate molecular
structures to their bovine serum albumin water partition coefficients (K BSA/W). A wide
variety of natural organic compounds and drugs were selected as a dataset and suitable
sets of molecular descriptors were calculated using Dragon package. ERM was used as
variable selection method. The nonlinear-support vector machine models were applied to …
method (ERM) and support vector machine (SVM) was used to correlate molecular
structures to their bovine serum albumin water partition coefficients (K BSA/W). A wide
variety of natural organic compounds and drugs were selected as a dataset and suitable
sets of molecular descriptors were calculated using Dragon package. ERM was used as
variable selection method. The nonlinear-support vector machine models were applied to …
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