Partial charged surface area

Stanton, D. T., Jurs, P. C. Development and use of charged partial surface area structural descriptors in computer-assisted quantitative strucmre-property relationship smdies. Anal. Chem. 1990, 62, 2323-2329. 

FPSA surface weighted charged partial surface area... 

Stanton and Jurs [3] developed a model for a more diverse set of compounds, including hydrocarbons, halogenated hydrocarbons, alkanols, ethers, ketones, and esters. The model has been evaluated with 31 compounds, using, among others, charge partial surface area (CPSA) descriptors ... 

C2Descriptor+ Accelrys Inc. www.accelrys.com/cerius2/descriptor.html Topological indices, information content indices, fingerprint descriptors, physicochemical properties, charged partial surface area descriptors, shadow indices... 

So far, there has been little use of ab initio methods for the derivation of QSARs to predict the toxic potency and mode of action of chemicals. The present results indicate that with regard to net atomic charges and charge partial surface area descriptors, ab initio methods may indeed provide a different type of information, which should be kept in mind for future investigations, particularly when focusing on the charge-controlled impact on bioreactivity of drugs and toxicants. 

ACGO index charged partial surface area descriptors... 

CHAA2 index - charged partial surface area descriptors (O CHAAi index)... 

Charged Partial Surface Area descriptors ( CPSA descriptors)... 

CHGD index charged partial surface area descriptors chiral factors -> weighted matrices chirality descriptors... 

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