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Volumn 11, Issue 2, 2005, Pages 89-96
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QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants
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Author keywords
Flexible descriptors; Nearest neighbouring codes; Optimization of correlation weights; QSAR; QSPR; Water solubility
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Indexed keywords
2 BUTANOL;
2 METHYL 2 BUTANOL;
2,3 DIMETHYL 2 BUTANOL;
3 METHYL 2 BUTANOL;
3,3 DIMETHYL 1 BUTANOL;
ACETIC ACID;
ALIPHATIC COMPOUND;
BUTANOL;
CHLOROFORM;
CYCLOHEXANE;
CYCLOPENTANE;
DECANOL;
HEXANOL;
ISOPENTYL ALCOHOL;
METHYL IODIDE;
MYRISTYL ALCOHOL;
NONANOL;
OCTANOL;
PENTANOL;
PINACOLYL ALCOHOL;
UNCLASSIFIED DRUG;
WATER;
ARTICLE;
CALCULATION;
CHEMICAL ANALYSIS;
CONTROLLED STUDY;
CORRELATION ANALYSIS;
PREDICTION;
PRIORITY JOURNAL;
PROCESS OPTIMIZATION;
QUANTITATIVE STRUCTURE PROPERTY RELATION;
SOLUBILITY;
STATISTICAL ANALYSIS;
ALCOHOLS;
ESTERS;
ETHERS;
MODELS, CHEMICAL;
ORGANIC CHEMICALS;
QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;
REGRESSION ANALYSIS;
SOLUBILITY;
WATER;
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EID: 33646249822
PISSN: 16102940
EISSN: 09485023
Source Type: Journal
DOI: 10.1007/s00894-004-0224-7 Document Type: Article |
Times cited : (10)
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References (58)
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