Theoretical Prediction of Antiproliferative Activity against Murine Leukemia Tumor Cell Line (L1210). 3D‐Morse Descriptor and its Application in Computational Chemistry
Liane Saı́z-Urra, Yunierkis Perez Castillo, Maykel Pérez González, Reinaldo Molina, M. Natália D. S. Cordeiro, José Enrique Rodríguez-Borges, Xerardo Garcı́a-Mera · QSAR & Combinatorial Science · 2008
Abstract Cancer is among the top ten causes of death in the world but in spite of the efforts of the pharmaceutical companies and many governmental organizations, new and more effective drugs are urgently needed. Computer‐assisted studies have been widely used to predict anticancer activity taking into account different molecular descriptors, statistical techniques, cell lines, and datasets of congeneric and non‐congeneric compounds.