"In silico" design of new uranyl extractants based on phosphoryl-containing podands: QSPR studies, generation and screening of virtual combinatorial library, and experimental tests

Journal of Chemical Information and Computer Sciences

Volumn 44, Issue 4, 2004, Pages 1365-1382

  Varnek, A ^a   Fourches, D ^a   Solov'ev, V P ^b   Baulin, V E ^b   Turanov, A N ^c   Karandashev, V K ^d   Fara, D ^e   Katritzky, A R ^e  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b INSTITUTE OF PHYSIOLOGICALLY ACTIVE COMPOUNDS   (Russian Federation)

^c INSTITUTE OF SOLID STATE PHYSICS   (Russian Federation)

^d INSTITUTE OF MICROELECTRONICS TECHNOLOGY AND HIGH PURITY MATERIALS   (Russian Federation)

^e NONE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

PHYSICOCHEMICAL DESCRIPTORS; QUANTITATIVE STRUCTURE PROPERTY RELATIONSHIPS (QSPR); URANYL CATIONS; VIRTUAL COMBINATORIAL LIBRARY;

CHEMICAL BONDS; COMBINATORIAL MATHEMATICS; COMPUTER AIDED DESIGN; DATABASE SYSTEMS; MATHEMATICAL MODELS; PHOSPHORS; POSITIVE IONS; RARE EARTH ELEMENTS; SCREENING; SILICON COMPOUNDS; STRAIN; SYNTHESIS (CHEMICAL); VIRTUAL REALITY;

SOLVENT EXTRACTION;

EID: 4043140704     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci049976b     Document Type: Article

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