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OCWLGI Descriptors: Theory and Praxis
2013
Current Computer - Aided Drug Design
The aim of this review is description of the logic and evolution of optimal descriptors OCWLGI calculated with the molecular graph and the demonstration of their ability as tools for the modeling of biological and physicochemical parameters of chemical compounds. The ability of optimal descriptors calculated with hydrogen suppressed graph (HSG), hydrogen filled graph (HFG) and graph of atomic orbitals (GAO) is demonstrated as a collection of quantitative structure-property relationships (QSPR)
doi:10.2174/1573409911309020007
pmid:23700994
fatcat:o7mn5dt4k5cjhd5zkq3gybkily