QSPR studies of impact sensitivity of nitro energetic compounds using three-dimensional descriptors

Journal of Molecular Graphics and Modelling

Volumn 36, Issue , 2012, Pages 10-19

  Xu, Jie ^a   Zhu, Ligen ^a   Fang, Dong ^a   Wang, Luoxin ^a   Xiao, Shili ^a   Liu, Li ^a   Xu, Weilin ^a  

^a WUHAN TEXTILE UNIVERSITY   (China)

Author keywords

Impact sensitivity; Nitro energetic compounds; QSPR; Three dimensional descriptors

Indexed keywords

DESCRIPTORS; ENERGETIC COMPOUNDS; IMPACT SENSITIVITIES; MULTIPLE LINEAR REGRESSIONS; NITRO COMPOUNDS; NON-LINEAR MODEL; PREDICTIVE POWER; QSPR; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS; SQUARED CORRELATION COEFFICIENTS; STANDARD ERRORS; TEST SETS; TRAINING SETS;

LINEAR REGRESSION; MODELS; NEURAL NETWORKS;

THREE DIMENSIONAL;

NITRATE; NITRO DERIVATIVE; NITROBENZENE DERIVATIVE; TRINITROBENZENESULFONIC ACID;

ALGORITHM; ARTICLE; ARTIFICIAL NEURAL NETWORK; CORRELATION COEFFICIENT; MATHEMATICAL MODEL; MOLECULAR MECHANICS; NONLINEAR SYSTEM; PREDICTIVE VALUE; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE PROPERTY RELATION; SENSITIVITY ANALYSIS;

ALGORITHMS; HUMANS; LINEAR MODELS; NEURAL NETWORKS (COMPUTER); NITRO COMPOUNDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84859511889     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.03.002     Document Type: Article

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