N-linear algebraic maps for chemical structure codification: A suitable generalization for atom-pair approaches?

Current Drug Metabolism

Volumn 15, Issue 4, 2014, Pages 441-469

  García Jacas, César R ^a,b   Marrero Ponce, Yovani ^a,c   Barigye, Stephen J ^a,e   Valdés Martiní, José R ^a   Rivera Borroto, Oscar M ^a   Olivero Verbel, Jesús ^d  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSIDAD DE LAS CIENCIAS INFORMÁTICAS   (Cuba)

^c UNIVERSITY OF VALENCIA   (Spain)

^d UNIVERSIDAD DE CARTAGENA   (Colombia)

^e KAMPALA INTERNATIONAL UNIVERSITY   (Uganda)

Author keywords

3D Three linear and four linear indices; Aggregation operator; Cramer's steroid; N tuple simple stochastic and mutual probability matrices; N tuple spatial (Dis)similarity matrix; Principal component analysis; QSAR; QuBiLS MIDAS N tuples; Shannon entropy; TOMOCOMD CARDD; Variability analysis

Indexed keywords

STEROID; TRANSCORTIN;

ARTICLE; ATOM; BIBLIOGRAPHIC DATABASE; BINDING AFFINITY; CALCULATION; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CODING; CONCEPTUAL FRAMEWORK; ENTROPY; INFORMATION SCIENCE; MATHEMATICS; N LINEAR ALGEBRAIC MAP; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TRAINING; PRINCIPAL COMPONENT ANALYSIS; THEORETICAL MODEL;

MODELS, THEORETICAL; MOLECULAR STRUCTURE; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84921059417     PISSN: 13892002     EISSN: 18755453     Source Type: Journal    
DOI: 10.2174/1389200215666140605124506     Document Type: Article

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