Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints

Isayev, Olexandr; Fourches, Denis; Muratov, Eugene N.; Oses, Corey; Rasch, Kevin; Tropsha, Alexander; Curtarolo, Stefano

doi:10.1021/cm503507h

Title: Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints

Journal Article · Sat Jan 17 00:00:00 EST 2015 · Chemistry of Materials

DOI:https://doi.org/10.1021/cm503507h· OSTI ID:1167417

Isayev, Olexandr ^[1]; Fourches, Denis ^[1]; Muratov, Eugene N. ^[1]; Oses, Corey; Rasch, Kevin; Tropsha, Alexander ^[1]; Curtarolo, Stefano

Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, North Carolina 27599, United States

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: EDCBEE; AC02-05CH11231

OSTI ID:: 1167417

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Vol. 27 Journal Issue: 3; ISSN 0897-4756

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 177 works

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