Analysis of water solubility data on the basis of HYBOT descriptors. Part 1. Partitioning of volatile chemicals in the water-gas phase system

QSAR and Combinatorial Science

Volumn 22, Issue 9-10, 2004, Pages 926-942

  Raevskya, Oleg A ^a   Schaper, Klaus J ^b,c  

^a INSTITUTE OF PHYSIOLOGICALLY ACTIVE COMPOUNDS   (Russian Federation)

^b Research Center Borstel   (Germany)

^c RESEARCH CENTER BORSTEL   (Germany)

Author keywords

Hydrogen bond acceptor and donor factors; Nearest neighbor; Polarizability; Similarity; Vapors; Water solubility

Indexed keywords

ATOMS; COMPUTATIONAL CHEMISTRY; DATA HANDLING; GASES; HYDROGEN BONDS; MOLECULES; POLARIZATION; SOFTWARE PACKAGES; SOLUBILITY;

HYDROGEN BOND ACCEPTOR AND DONOR FACTOR; HYDROGEN BOND ACCEPTORS; HYDROGEN BOND DONORS; INDICATOR VARIABLES; NEAREST-NEIGHBOUR; PHYSICO-CHEMICAL DESCRIPTORS; POLARIZABILITIES; SIMILARITY; WATER GAS; WATER SOLUBILITIES;

ORGANIC CHEMICALS;

AMIDE; AMINE; ETHER; VOLATILE AGENT; WATER;

ARTICLE; ATOM; CALCULATION; COMPUTER PROGRAM; CORRELATION COEFFICIENT; DATA ANALYSIS; GAS; HYDROGEN BOND; LIQUID; PARTITION COEFFICIENT; PHYSICAL CHEMISTRY; POLARIZATION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SOLUBILITY; STEREOCHEMISTRY; VAPOR;

EID: 1042276755     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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