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Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.
IDrugs. 2006 Mar;9(3):199-204.
IDrugs. 2006.
PMID: 16523386
Reaction site mapping of xenobiotic biotransformations.
Boyer S, Arnby CH, Carlsson L, Smith J, Stein V, Glen RC.
Boyer S, et al. Among authors: arnby ch.
J Chem Inf Model. 2007 Mar-Apr;47(2):583-90. doi: 10.1021/ci600376q. Epub 2007 Feb 16.
J Chem Inf Model. 2007.
PMID: 17302400
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Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models.
Gleeson MP, Davis AM, Chohan KK, Paine SW, Boyer S, Gavaghan CL, Arnby CH, Kankkonen C, Albertson N.
Gleeson MP, et al. Among authors: arnby ch.
J Comput Aided Mol Des. 2007 Oct-Nov;21(10-11):559-73. doi: 10.1007/s10822-007-9139-6. Epub 2007 Nov 22.
J Comput Aided Mol Des. 2007.
PMID: 18034311
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State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications.
Afzelius L, Arnby CH, Broo A, Carlsson L, Isaksson C, Jurva U, Kjellander B, Kolmodin K, Nilsson K, Raubacher F, Weidolf L.
Afzelius L, et al. Among authors: arnby ch.
Drug Metab Rev. 2007;39(1):61-86. doi: 10.1080/03602530600969374.
Drug Metab Rev. 2007.
PMID: 17364881
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Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data.
Gavaghan CL, Arnby CH, Blomberg N, Strandlund G, Boyer S.
Gavaghan CL, et al. Among authors: arnby ch.
J Comput Aided Mol Des. 2007 Apr;21(4):189-206. doi: 10.1007/s10822-006-9095-6. Epub 2007 Mar 24.
J Comput Aided Mol Des. 2007.
PMID: 17384921
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