DFT Based Electrophilicity Index and QSAR study of Phenols as Anti Leukaemia Agent
Farhan A. Pasha, Hemant K. Srivastava, Yakoob Beg and Pashupati P. singh
DOI : 10.3844/ajisp.2006.23.28
American Journal of Immunology
Volume 2, Issue 1
Density Functional reactivity indices based QSAR study of 49 phenol derivatives is presented in this paper. Two different models to describe the anti leukaemia activity of phenols have been made. First QSAR model includes molecular properties like molecular weight (Mw), hardness (η), chemical potential (
© 2006 Farhan A. Pasha, Hemant K. Srivastava, Yakoob Beg and Pashupati P. singh. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.