Similarity based SAR (SIBAR) as tool for early ADME profiling

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 11, 2002, Pages 785-793

  Klein, Christian ^a   Kaiser, Dominik ^a   Kopp, Stephan ^a   Chiba, Peter ^a   Ecker, Gerhard F ^a  

^a UNIVERSITY OF VIENNA   (Austria)

Author keywords

ADME; P glycoprotein; Propafenone; Similarity based descriptors

Indexed keywords

BIOCHEMISTRY; GLYCOPROTEINS;

ADME; BIOLOGICAL MACROMOLECULE; DESCRIPTORS; DEVELOPMENT PROCESS; DRUG DEVELOPMENT; DRUG DISCOVERY; P-GLYCOPROTEIN; PROPAFENONE; REFERENCE COMPOUNDS; SIMILARITY BASED DESCRIPTOR;

COMPUTATIONAL CHEMISTRY;

AMIDE; AMINE; AMIODARONE; ANTHRACYCLINE DERIVATIVE; ANTIARRHYTHMIC AGENT; ANTINEOPLASTIC AGENT; COLCHICINE; CYCLOSPORIN DERIVATIVE; DACTINOMYCIN; DAUNORUBICIN; DIHYDROPYRIDINE DERIVATIVE; GLYCOPROTEIN P; PODOPHYLLOTOXIN DERIVATIVE; PROPAFENONE; PROPAFENONE DERIVATIVE; STEROID; TAXANE DERIVATIVE; UNCLASSIFIED DRUG; VERAPAMIL; VINCA ALKALOID;

ARTICLE; CALCULATION; COMPUTER MODEL; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG ABSORPTION; DRUG ACTIVITY; DRUG DESIGN; DRUG DISTRIBUTION; DRUG ELIMINATION; DRUG INHIBITION; DRUG METABOLISM; DRUG POTENCY; DRUG SYNTHESIS; DRUG TRANSPORT; PREDICTION; PRIORITY JOURNAL; REGRESSION ANALYSIS; STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS;

EID: 0037499662     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1023828527638     Document Type: Article

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