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Cheminformatics / Medicinal chemistry / Pharmacology / Organic chemistry / Quantitative structure–activity relationship / Substituent / Combinatorial chemistry / Drug discovery / Chemistry / Pharmaceutical sciences / Science


Descriptor-free molecular discovery in large libraries by adaptive substituent reordering
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Document Date: 2010-10-27 20:48:54

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File Size: 473,49 KB

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City

Washington / DC / New York / /

Company

Oxford University Press / Ó 2008 Elsevier Ltd. / /

Country

United States / /

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Facility

Prentice Hall / Princeton University / /

IndustryTerm

stochastic11 optimization algorithms / large pharmaceutical compound library / chemical sciences / mth site / particular substitution site / optimization algorithms / ith site / substitution site / /

Organization

American Chemical Society / Princeton University / Oxford University / USA Department of Chemistry / National Science Foundation / Department of Chemical Engineering / US Federal Reserve / Environmental Protection Agency / /

Person

Xiao-Jiang Feng / Joshua D. Rabinowitz / Scott R. McAllister / Herschel Rabitz / /

ProgrammingLanguage

DC / /

ProvinceOrState

New Jersey / /

PublishedMedium

Machine Learning / /

Technology

combinatorial chemistry / Drug Discovery / stochastic11 optimization algorithms / Machine Learning / Molecular Modeling / 3-D / Suitable optimization algorithms / high-throughput screening / /

URL

www.elsevier.com/locate/bmcl / /

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