Comparison between physicochemical and calculated molecular descriptors

Journal of Chemometrics

Volumn 14, Issue 5-6, 2000, Pages 629-642

  Andersson, Per M ^a   Sjöström, Michael ^a   Wold, Svante ^a   Lundstedt, Torbjörn ^b  

^a UMEÅ UNIVERSITY   (Sweden)

^b Quiatech AB Uppsala Science Park   (Sweden)

Author keywords

Amines; Combinatorial chemistry; Molecular descriptors; PLS; QSAR

Indexed keywords

BIOCHIPS; COMPUTATIONAL CHEMISTRY; INDICATORS (CHEMICAL); LEAST SQUARES APPROXIMATIONS; PRINCIPAL COMPONENT ANALYSIS;

BUILDING BLOCKES; COMBINATORIAL CHEMISTRY; DATA SET; DESCRIPTORS; MOLECULAR DESCRIPTORS; ORGANIC REACTION; PHYSICO-CHEMICALS; PHYSICOCHEMICAL PROPERTY; PROJECTION TO LATENT STRUCTURES; QSAR;

AMINES;

AMINE;

CHEMICAL ANALYSIS; CHEMOMETRICS; CONFERENCE PAPER; DATA ANALYSIS; INTERMETHOD COMPARISON; PHYSICAL CHEMISTRY; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0033659643     PISSN: 08869383     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-128X(200009/12)14:5/6<629::AID-CEM606>3.0.CO;2-M     Document Type: Conference Paper

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