SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 8, 2001, Pages 741-752

Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure

(4) Livingstone, D J a Ford, M G b Huuskonen, J J c Salt, D W b

a Delamere House (United Kingdom)

b UNIVERSITY OF PORTSMOUTH (United Kingdom)

c UNIVERSITY OF HELSINKI (Finland)

Author keywords

Canonical correlation; Electrotopological descriptors; Log P; Log S; Neural networks; Regression analysis

Indexed keywords

ALCOHOLS; CORRELATION METHODS; LINEAR REGRESSION; MOLECULAR STRUCTURE; SOLUBILITY;

AQUEOUS SOLUBILITY; CANONICAL CORRELATIONS; DESCRIPTORS; ELECTROTOPOLOGICAL DESCRIPTOR; LOG P; LOG S; NEURAL-NETWORKS; OCTANOL-WATER PARTITION COEFFICIENT; TEST SETS; WATER SOLUBILITIES;

NEURAL NETWORKS;

ACETYLSALICYLIC ACID; ATROPINE; BENZOCAINE; CHLORAMPHENICOL; CHLOROTHIAZIDE; CHLORPROMAZINE; CIMETIDINE; DIAZEPAM; DILTIAZEM; DIPHENHYDRAMINE; DIURON; FLUFENAMIC ACID; HALOPERIDOL; IMIPRAMINE; LIDOCAINE; LINDANE; MALATHION; NITROFURANTOIN; OCTANOL; PHENAZONE; PHENOBARBITAL; PHENYTOIN; PROCAINAMIDE; PROPRANOLOL; TETRACAINE; THEOPHYLLINE; TRIMETHOPRIM; UNINDEXED DRUG; VERAPAMIL; WATER;

AQUEOUS SOLUTION; ARTICLE; ARTIFICIAL NEURAL NETWORK; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONTROLLED STUDY; CORRELATION FUNCTION; INFORMATION; LINEAR SYSTEM; MODEL; PARTITION COEFFICIENT; PREDICTION; PRIORITY JOURNAL; REGRESSION ANALYSIS; SOLUBILITY; STATISTICAL ANALYSIS; VALIDATION PROCESS;

EID: 0034751673 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1012284411691 Document Type: Article

Times cited : (69)

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