Combinatorial QSAR modeling of P-glycoprotein substrates.
de Cerqueira Lima P, Golbraikh A, Oloff S, Xiao Y, Tropsha A.
de Cerqueira Lima P, et al. Among authors: tropsha a.
J Chem Inf Model. 2006 May-Jun;46(3):1245-54. doi: 10.1021/ci0504317.
J Chem Inf Model. 2006.
PMID: 16711744
Recently, we have begun to explore a combinatorial QSAR approach which employs various combinations of optimization methods and descriptor types and includes rigorous and consistent model validation (Kovatcheva, A.; Golbraikh, A.; Oloff, S.; Xiao, Y.; Zheng, …
Recently, we have begun to explore a combinatorial QSAR approach which employs various combinations of optimization methods and descr …