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Strategy To Discover Diverse Optimal Molecules in the Small Molecule Universe

[Image: see text] The small molecule universe (SMU) is defined as a set of over 10(60) synthetically feasible organic molecules with molecular weight less than ∼500 Da. Exhaustive enumerations and evaluation of all SMU molecules for the purpose of discovering favorable structures is impossible. We t...

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Detalles Bibliográficos
Autores principales:	Rupakheti, Chetan, Virshup, Aaron, Yang, Weitao, Beratan, David N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2015
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4372820/ https://www.ncbi.nlm.nih.gov/pubmed/25594586 http://dx.doi.org/10.1021/ci500749q

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