QSAR Modeling and Prediction of Drug-Drug Interactions

Molecular Pharmaceutics

Volumn 13, Issue 2, 2016, Pages 545-556

  Zakharov, Alexey V ^a   Varlamova, Ekaterina V ^b,c   Lagunin, Alexey A ^d,e   Dmitriev, Alexander V ^d   Muratov, Eugene N ^f   Fourches, Denis ^g   Kuz'min, Victor E ^b   Poroikov, Vladimir V ^d   Tropsha, Alexander ^f   Nicklaus, Marc C ^a  

^a NATIONAL CANCER INSTITUTE   (United States)

^b A V BOGATSKY PHYSICO CHEMICAL INSTITUTE   (Ukraine)

^c ODESSA NATIONAL POLYTECHNIC UNIVERSITY   (Ukraine)

^d Institute of Biochemical Chemistry   (Russian Federation)

^e PIROGOV RUSSIAN NATIONAL RESEARCH MEDICAL UNIVERSITY   (Russian Federation)

^f UNC Hamner Institute for Drug Safety Sciences   (United States)

^g NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

adverse drug reactions; DDI; drug drug interactions; GUSAR; mixtures; QNA; QSAR modeling; simplex descriptors; toxicity

Indexed keywords

ALENDRONIC ACID; AMIFOSTINE; AMIODARONE; AMITRIPTYLINE; ANIDULAFUNGIN; ATAZANAVIR; CYTOCHROME P450; DIHYDROQUINIDINE; ETHAMBUTOL; GANCICLOVIR; GONADORELIN; IBUTILIDE; JOSAMYCIN; LIDOCAINE; METHYLDOPA; NORDIHYDROGUAIARETIC ACID; OCTREOTIDE; PASIREOTIDE; PENCICLOVIR; POLYMYXIN B; QUINIDINE; TELBIVUDINE; TENIPOSIDE; TERLIPRESSIN; TIAGABINE; TRIMIPRAMINE; UNINDEXED DRUG; VAPREOTIDE; VOGLIBOSE; ZIDOVUDINE;

ARTICLE; CHEMICAL STRUCTURE; DRUG INTERACTION; DRUG MARKETING; PREDICTION; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RANDOM FOREST; ADVERSE DRUG REACTION; ALGORITHM; BIOLOGICAL MODEL; CHEMISTRY; FACTUAL DATABASE; HUMAN; METABOLISM; MOLECULAR MODEL;

ALGORITHMS; CYTOCHROME P-450 ENZYME SYSTEM; DATABASES, FACTUAL; DRUG INTERACTIONS; DRUG-RELATED SIDE EFFECTS AND ADVERSE REACTIONS; HUMANS; MODELS, BIOLOGICAL; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84957309377     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/acs.molpharmaceut.5b00762     Document Type: Article

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