A novel approach for prediction of intestinal absorption of drugs in humans based on hydrogen bond descriptors and structural similarity

Quantitative Structure-Activity Relationships

Volumn 20, Issue 5-6, 2001, Pages 402-413

  Raevsky, Oleg A ^a   Schaper, Klaus J ^b   Artursson, Per ^c   McFarland, James W ^d  

^a INSTITUTE OF PHYSIOLOGICALLY ACTIVE COMPOUNDS   (Russian Federation)

^b RESEARCH CENTER BORSTEL   (Germany)

^c UPPSALA UNIVERSITY   (Sweden)

^d Reckondat Consulting   (United States)

Author keywords

Different mechanisms; Hydrogen bonding; Intestinal absorption; QSAR; Sigmoid model; Similarity

Indexed keywords

COMPLEXATION; COMPUTATIONAL CHEMISTRY;

C VALUES; DESCRIPTORS; DIFFERENT MECHANISMS; HYDROGEN BONDING PROPERTIES; INTESTINAL ABSORPTION; NEW APPROACHES; QSAR; SIGMOID MODEL; SIMILARITY; STRUCTURAL SIMILARITY;

HYDROGEN BONDS;

ACEBUTOLOL; ACETYLSALICYLIC ACID; ACRIVASTINE; ALLOPURINOL; ALPRENOLOL; AMFEBUTAMONE; AMOXICILLIN; ATENOLOL; BENAZEPRIL; BETAXOLOL; BROMAZEPAM; BROMOCRIPTINE; BUDESONIDE; CAPTOPRIL; CEFADROXIL; CEFALEXIN; CEFATRIZINE; CEFONICID; CEFORANIDE; CEFOTETAN; CEFRADINE; CEFTRIAXONE; CEFUROXIME; CHLORAMPHENICOL; CHLOROQUINE; CIPROFLOXACIN; CORTICOSTERONE; CROMOGLYCATE DISODIUM; PARACETAMOL; UNINDEXED DRUG;

ARTICLE; CALCULATION; DRUG ABSORPTION; DRUG STRUCTURE; DRUG TRANSPORT; GASTROINTESTINAL ABSORPTION; HUMAN; HYDROGEN BOND; MEASUREMENT; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 0035739018     PISSN: 09318771     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3838(200112)20:5/6<402::AID-QSAR402>3.0.CO;2-6     Document Type: Article

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