J.F. Ziegler
Nuclear Instruments and Methods
Certain of the fundamental concepts underlying the utilization of comparative molecular moment (CoMMA) descriptors as measures of three-dimensional molecular similarity are reviewed. The results of a principal component regression (PCR) analyses of the five data sets previously examined by partial least squares (PLS) calculations are provided. The results further substantiate the utility of the CoMMA descriptors in predicting chemical and biological activity.
J.F. Ziegler
Nuclear Instruments and Methods
Jean Benoit Héroux, Masao Tokunari, et al.
CLEO/QELS 2010
David C. Spellmeyer, William C. Swope
Perspectives in Drug Discovery and Design
Joshua Hui, Sarah Knoop, et al.
IHI 2012