In silico prediction of pharmaceutical degradation pathways: A benchmarking study

Molecular Pharmaceutics

Volumn 11, Issue 11, 2014, Pages 4179-4188

  Kleinman, Mark H ^a   Baertschi, Steven W ^b   Alsante, Karen M ^c   Red, Darren L ^d   Mowery, Mark D ^e   Shimanovich, Roman ^d   Foti, Chris ^c,g   Smith, William K ^b   Reynolds, Dan W ^a   Nefliu, Marcela ^e   Ott, Martin A ^f  

^a GLAXOSMITHKLINE   (United States)

^b ELI LILLY AND COMPANY   (United States)

^c PFIZER INC   (United States)

^d AMGEN INC   (United States)

^e MERCK RESEARCH LABORATORIES   (United States)

^f LHASA LIMITED   (United Kingdom)

^g GILEAD SCIENCES   (United States)

Author keywords

Degradation pathways; Expert system; Knowledge base; Pharmaceutical forced degradation; Prediction; Stress testing; Zeneth benchmark

Indexed keywords

ARTICLE; COMPUTER MODEL; COMPUTER PREDICTION; CONTROLLED STUDY; DEALKYLATION; DECARBOXYLATION; DEGRADATION; DIMERIZATION; DRUG INDUSTRY; EPIMERIZATION; HYDROLYSIS; OXIDATION; PREDICTION; PRIORITY JOURNAL; TAUTOMERIZATION; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DRUG STABILITY; METABOLISM; QUALITY CONTROL;

DRUG;

BENCHMARKING; COMPUTER SIMULATION; DRUG STABILITY; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; SOFTWARE;

EID: 84939642873     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp5003976     Document Type: Article

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