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Electrophilicity index as a possible descriptor of biological activity

Bioorganic & Medicinal Chemistry · 2004 · Vol. 12(21) · pp. 5533–5543

Ramakrishnan Parthasarathi✉(Central Leather Research Institute)V. Subramanian(Central Leather Research Institute)Debesh R. Roy(Indian Institute of Technology Kharagpur)Pratim Kumar Chattaraj(Indian Institute of Technology Kharagpur)

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Free Radicals and Antioxidants Computational Drug Discovery Methods Organic Chemistry Cycloaddition ReactionsElectrophileChemistryQuantitative structure–activity relationshipBiological activityReactivity (psychology)Combinatorial chemistryComputational chemistryStereochemistryOrganic chemistryBiochemistry

MeSH terms

AnimalsEstrogensHumansModels, BiologicalModels, ChemicalProtein BindingTestosteroneComputational BiologyQuantitative Structure-Activity Relationship

Citations

483

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7.75

field-weighted impact

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40

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98%

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References

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Absolute hardness: companion parameter to absolute electronegativity

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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

Journal of the American Chemical Society · 1988 · 3,913 citations

Philicity: A Unified Treatment of Chemical Reactivity and Selectivity

The Journal of Physical Chemistry A · 2003 · 804 citations

Conceptual Density Functional Theory

Chemical Reviews · 2003 · 5,027 citations

Chemical reactivity indexes in density functional theory

Journal of Computational Chemistry · 1999 · 1,412 citations

A survey of Hammett substituent constants and resonance and field parameters

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