The power of MMPA and a teaching lesson in medicinal chemistry

Journal of Medicinal Chemistry

Volumn 55, Issue 5, 2012, Pages 1815-1816

  Müller, Klaus ^a  

^a F HOFFMANN LA ROCHE LTD   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

1,3,4 OXADIAZOLE DERIVATIVE; CYTOCHROME P450 1A2; CYTOCHROME P450 3A4; NITROGEN; OXYGEN; POTASSIUM CHANNEL HERG;

AEROBIC METABOLISM; CELL POLARITY; CHEMICAL STRUCTURE; CLINICAL DATA REPOSITORY; COMPUTATIONAL FLUID DYNAMICS; DRUG DEVELOPMENT; ELECTRORETINOGRAM; ENZYME INHIBITION; INFORMATION PROCESSING; ISOMER; LIPOPHILICITY; LIVER CLEARANCE; LIVER MICROSOME; MATCHED MOLECULAR PAIR ANALYSIS; MEDICAL EDUCATION; METHODOLOGY; PH; PHENOTYPE; PHYSICAL CHEMISTRY; PKA; PROCESS OPTIMIZATION; REVIEW;

ANIMALS; HUMANS; OXADIAZOLES;

EID: 84858054346     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm300163y     Document Type: Review

References (4)

1. Hussain, J.; Rea, C. Computationally Efficient Algorithm To Identify Matched Molecular Pairs (MMPs) in Large Data Sets J. Chem. Inf. Model. 2010, 50, 339-348
2. Griffen, E.; Leach, A. G.; Robb, G. R.; Warner, D. J. Matched Molecular Pairs as a Medicinal Chemistry Tool. Miniperspective J. Med. Chem. 2011, 54, 7739-7750
3. Papadatos, G.; Alkouri, M.; Gillet, V. J.; Willett, P. Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity J. Chem. Inf. Model. 2010, 50, 1872-1886
4. Boström, J.; Hogner, A.; Llinàs, A.; Wellner, E.; Plowright, A. T. Oxadiazoles in Medicinal Chemistry. J. Med. Chem. 2011, DOI: 10.1021/jm2013248.