Comparative evaluation of pK a prediction tools on a drug discovery dataset

Journal of Pharmaceutical and Biomedical Analysis

Volumn 67-68, Issue , 2012, Pages 63-70

  Balogh, György T ^a   Tarcsay, Ákos ^a   Keseru, György M ^a  

^a GEDEON RICHTER LTD   (Hungary)

Author keywords

Consensus pK a; Discovery compounds; Ionization constant; PK a prediction; Potentiometric titration

Indexed keywords

ALIPHATIC COMPOUND;

ACCURACY; ACD SOFTWARE; ARTICLE; CHEMICAL STRUCTURE; COMPARATIVE STUDY; COMPUTER MODEL; COMPUTER PROGRAM; DRUG DEVELOPMENT; EPIK SOFTWARE; IONIZATION; MARVIN SOFTWARE; NONHUMAN; PALLAS SOFTWARE; PH; PHARMAALGORITHM SOFTWARE; PKA; POTENTIOMETRIC TITRATION; PREDICTION; PRIORITY JOURNAL; PROTON TRANSPORT; SPECTROPHOTOMETRY;

CHROMATOGRAPHY, HIGH PRESSURE LIQUID; DRUG DISCOVERY; MODELS, THEORETICAL; PHARMACOKINETICS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SPECTROPHOTOMETRY, ULTRAVIOLET;

EID: 84862151659     PISSN: 07317085     EISSN: 1873264X     Source Type: Journal    
DOI: 10.1016/j.jpba.2012.04.021     Document Type: Article

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