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Medicinal chemistry / Estrogens / Endocrinology / Pharmacology / Quantitative structure–activity relationship / Molecular descriptor / Estradiol / Drug design / Genistein / Chemistry / Medicine / Cheminformatics


186 J. Chem. Inf. Comput. Sci. 2001, 41, [removed]QSAR Models Using a Large Diverse Set of Estrogens Leming M. Shi,†,‡ Hong Fang,† Weida Tong,*,† Jie Wu,† Roger Perkins,† Robert M. Blair,§
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Georgetown / Jefferson / Princeton / Washington / DC / L. A. / Laws / St. Louis / /

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R.G. Landes Co. / BASF Corp. / R.O.W. Sciences Inc. / Patterson / Xing / CoMFA / using CoMFA / /

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energy optimization / chemicals surviving phase / endocrine systems / basic chemical structures / left-out chemicals / quantum-chemical properties / miscellaneous chemicals / active chemicals / chemical structures / energy / inactive chemicals / developed all-orientation search / chemical congeners / chemical binding / in vitro systems / systematic search tool / diverse / omitted / all-placement search / chemical / chemical structure / food additives / chemicals / set chemicals / /

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Daniel M. Sheehan / Roger Perkins / † Robert / Hong Fang / Stacy L. Dial / § Carrie / Carrie L. Moland / SHI ET AL / William S. Branham / § Stacy / Walker / Jie Wu / † Roger / Robert M. Blair / /

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Walker / model for the receptor binding site / Corresponding author / Governor / representative / G. P. / reporter / /

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alpha / sublimation / Molecular Modeling / hybridization / Drug DeliVery / drug discovery / rational drug design / /

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