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QSAR and Combinatorial Science

Volumn 24, Issue 1, 2005, Pages 114-119

Virtual screening and QSAR formulations for crystal chemistry

(2) Suh, Changwon a Rajan, Krishna a

a RENSSELAER POLYTECHNIC INSTITUTE (United States)

Author keywords

Ab initio; Crystal chemistry; Modulus; Partial least squares (PLS); QSAR

Indexed keywords

COMPUTATIONAL CHEMISTRY; CRYSTAL CHEMISTRY; CRYSTAL STRUCTURE; LEAST SQUARES APPROXIMATIONS;

AB INITIO; COMBINATORIAL ANALYSIS; CRYSTAL-CHEMISTRY; DESCRIPTORS; MODULUS; MULTI VARIATE ANALYSIS; PARTIAL LEAST SQUARE; PARTIAL LEAST-SQUARES; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; VIRTUAL SCREENING;

MULTIVARIANT ANALYSIS;

GERMANIUM DERIVATIVE; NITROGEN DERIVATIVE; SILICON DERIVATIVE; TIN DERIVATIVE; TITANIUM DERIVATIVE; ZIRCONIUM DERIVATIVE;

AB INITIO CALCULATION; CALCULATION; COMBINATORIAL CHEMISTRY; CONFERENCE PAPER; CRYSTAL; DATA BASE; DATA MINING; MULTIVARIATE ANALYSIS; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REGRESSION ANALYSIS; STATISTICAL PARAMETERS; VIRTUAL SCREENING; X RAY CRYSTALLOGRAPHY;

EID: 16444385663 PISSN: 1611020X EISSN: None Source Type: Journal
DOI: 10.1002/qsar.200420057 Document Type: Conference Paper

Times cited : (43)

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