Analysis and refinement of the targeted QSPR method

Computers and Chemical Engineering

Volumn 32, Issue 7, 2008, Pages 1397-1410

  Kahrs, Olaf ^a   Brauner, Neima ^b   Cholakov, Georgi St ^c   Stateva, Roumiana P ^d   Marquardt, Wolfgang ^a   Shacham, Mordechai ^e  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b TEL AVIV UNIVERSITY   (Israel)

^c UNIVERSITY OF CHEMICAL TECHNOLOGY AND METALLURGY   (Bulgaria)

^d INSTITUTE OF CHEMICAL ENGINEERING   (Bulgaria)

^e BEN GURION UNIVERSITY OF THE NEGEV   (Israel)

Author keywords

Cluster analysis; Computational chemistry; PCA; Property prediction; QSPR; Stepwise regression

Indexed keywords

ALGORITHMS; CLUSTER ANALYSIS; MOLECULAR STRUCTURE; REGRESSION ANALYSIS; THERMAL EFFECTS;

COMPUTATIONAL CHEMISTRY; PROPERTY PREDICTION; STEPWISE REGRESSION;

CHEMICAL ENGINEERING;

ALGORITHMS; CHEMICAL ENGINEERING; CLUSTER ANALYSIS; MOLECULAR STRUCTURE; REGRESSION ANALYSIS; THERMAL EFFECTS;

EID: 42949173370     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.compchemeng.2007.06.006     Document Type: Article

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