Total and local quadratic indices of the "molecular pseudograph's atom adjacency matrix". Application to prediction of Caco-2 permeability of drugs

International Journal of Molecular Sciences

Volumn 4, Issue 8-9, 2003, Pages 512-536

  Ponce, Yovani Marrero ^a   Cabrera Pérez, Miguel Angel ^a   Zaldivar, Vicente Romero ^b   Ofori, Ernest ^a   Montero, Luis A ^c  

^a CENTRAL UNIVERSITY OF LAS VILLAS   (Cuba)

^b UNIVERSIDAD DE CIENFUEGOS CARLOS RAFAEL RODRÍGUEZ   (Cuba)

^c UNIVERSITY OF HAVANA   (Cuba)

Author keywords

Caco 2 cell; Drug Absorption; QSPerR; Quadratic Indices; TOMO COMD Software

Indexed keywords

ACETYLSALICYLIC ACID; ADRENALIN; ALPRENOLOL; ATENOLOL; BENZENE; CORTICOSTERONE; COUMARIN; DEXAMETHASONE; FELODIPINE; FUROSEMIDE; GUANABENZ; GUANOXAN; HYDROCORTISONE; IMIPRAMINE; LIDOCAINE; MANNITOL; METOPROLOL; NITRENDIPINE; OLSALAZINE; PRACTOLOL; PROPRANOLOL; SALAZOSULFAPYRIDINE; SALICYLIC ACID; SULPIRIDE; TERBUTALINE; TESTOSTERONE; THEOPHYLLINE; TIACRILAST; UNINDEXED DRUG; WARFARIN;

ARTICLE; CELL MEMBRANE PERMEABILITY; CELL STRAIN CACO 2; COMPARATIVE STUDY; COMPUTER PROGRAM; CORRELATION ANALYSIS; CORRELATION COEFFICIENT; DRUG PENETRATION; DRUG STRUCTURE; HYDROGEN BOND; INTESTINE ABSORPTION; LINEAR REGRESSION ANALYSIS; MOLECULAR PSEUDOGRAPH ATOM ADJACENCY MATRIX; MOLECULAR SIZE; MULTIPLE REGRESSION; PREDICTION; QUANTITATIVE ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICAL MODEL; STATISTICAL SIGNIFICANCE; STRUCTURE ANALYSIS; THEORETICAL STUDY; VALIDATION PROCESS;

EID: 3042720009     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i4080512     Document Type: Article

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