-
1
-
-
6344222582
-
Partial least squares (PLS) regression
-
Lewis-Beck M, Bryman A, and Futing T eds Sage, Thousand Oaks, CA
-
Abdi H (2003) Partial least squares (PLS) regression, in Encyclopedia for Research Methods for the Social Sciences (Lewis-Beck M, Bryman A, and Futing T eds), pp 792-795, Sage, Thousand Oaks, CA.
-
(2003)
Encyclopedia for Research Methods for the Social Sciences
, pp. 792-795
-
-
Abdi, H.1
-
2
-
-
18144369259
-
Development of CYP3A4 inhibition models: Comparisons of machine-learning techniques and molecular descriptors
-
DOI 10.1177/1087057104274091
-
Arimoto R, Prasad MA, and Gifford EM (2005) Development of CYP3A4 inhibition models: comparisons of machine-learning techniques and molecular descriptors. J Biomol Screen 10:197-205. (Pubitemid 40617157)
-
(2005)
Journal of Biomolecular Screening
, vol.10
, Issue.3
, pp. 197-205
-
-
Arimoto, R.1
Prasad, M.-A.2
Gifford, E.M.3
-
3
-
-
2442626615
-
Implications of the allosteric kinetics of cytochrome P450s
-
Atkins WM (2004) Implications of the allosteric kinetics of cytochrome P450s. Drug Discov Today 9:478-484.
-
(2004)
Drug Discov Today
, vol.9
, pp. 478-484
-
-
Atkins, W.M.1
-
4
-
-
47749106894
-
Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors
-
Coan KE and Shoichet BK (2008) Stoichiometry and physical chemistry of promiscuous aggregate-based inhibitors. J Am Chem Soc 130:9606-9612.
-
(2008)
J Am Chem Soc
, vol.130
, pp. 9606-9612
-
-
Coan, K.E.1
Shoichet, B.K.2
-
5
-
-
13844322067
-
Cytochrome P450: Nature's most versatile biological catalyst
-
Coon MJ (2005) Cytochrome P450: nature's most versatile biological catalyst. Annu Rev Pharmacol Toxicol 45:1-25.
-
(2005)
Annu Rev Pharmacol Toxicol
, vol.45
, pp. 1-25
-
-
Coon, M.J.1
-
7
-
-
62849094732
-
Selectivity and therapeutic inhibition of kinases: To be or not to be?
-
Ghoreschi K, Laurence A, and O'Shea JJ (2009) Selectivity and therapeutic inhibition of kinases: to be or not to be? Nat Immunol 10:356-360.
-
(2009)
Nat Immunol
, vol.10
, pp. 356-360
-
-
Ghoreschi, K.1
Laurence, A.2
O'Shea, J.J.3
-
8
-
-
77956576179
-
Clinical studies of drug-drug interactions: Design and interpretation
-
K.S. Pang, A.D. Rodrigues, and R.M. Peter, eds Springer, New York
-
Greenblatt DJ and von Moltke LL (2010) Clinical studies of drug-drug interactions: design and interpretation, in Enzyme- and Transporter-Based Drug-Drug Interactions (K.S. Pang, A.D. Rodrigues, and R.M. Peter, eds), pp 625-649, Springer, New York.
-
(2010)
Enzyme- and Transporter-Based Drug-Drug Interactions
, pp. 625-649
-
-
Greenblatt, D.J.1
Von Moltke, L.L.2
-
9
-
-
11944266539
-
Information theory and statistical mechanics
-
Jaynes ET (1957) Information theory and statistical mechanics. Phys Rev 106:620-630.
-
(1957)
Phys Rev
, vol.106
, pp. 620-630
-
-
Jaynes, E.T.1
-
10
-
-
70449634957
-
Predicting new molecular targets for known drugs
-
Keiser MJ, Setola V, Irwin JJ, Laggner C, Abbas AI, Hufeisen SJ, Jensen NH, Kuijer MB, Matos RC, Tran TB, et al. (2009) Predicting new molecular targets for known drugs. Nature 462:175-181.
-
(2009)
Nature
, vol.462
, pp. 175-181
-
-
Keiser, M.J.1
Setola, V.2
Irwin, J.J.3
Laggner, C.4
Abbas, A.I.5
Hufeisen, S.J.6
Jensen, N.H.7
Kuijer, M.B.8
Matos, R.C.9
Tran, T.B.10
-
11
-
-
0034646370
-
Combinatorial target-guided ligand assembly: Identification of potent subtype-selective c-Src inhibitors
-
Maly DJ, Choong IC, and Ellman JA (2000) Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors. Proc Natl Acad Sci USA 97:2419-2424.
-
(2000)
Proc Natl Acad Sci USA
, vol.97
, pp. 2419-2424
-
-
Maly, D.J.1
Choong, I.C.2
Ellman, J.A.3
-
12
-
-
10044239599
-
Ensemble methods for classification in cheminformatics
-
Merkwirth C, Mauser H, Schulz-Gasch T, Roche O, Stahl M, and Lengauer T (2004) Ensemble methods for classification in cheminformatics. J Chem Inf Comput Sci 44:1971-1978.
-
(2004)
J Chem Inf Comput Sci
, vol.44
, pp. 1971-1978
-
-
Merkwirth, C.1
Mauser, H.2
Schulz-Gasch, T.3
Roche, O.4
Stahl, M.5
Lengauer, T.6
-
13
-
-
37849001771
-
A quantitative index of substrate promiscuity
-
Nath A and Atkins WM (2008a) A quantitative index of substrate promiscuity. Biochemistry 47:157-166.
-
(2008)
Biochemistry
, vol.47
, pp. 157-166
-
-
Nath, A.1
Atkins, W.M.2
-
14
-
-
54349107419
-
Principal component analysis of CYP2C9 and CYP3A4 probe substrate/inhibitor panels
-
Nath A and Atkins W (2008b) Principal component analysis of CYP2C9 and CYP3A4 probe substrate/inhibitor panels. Drug Metab Dispos 36:2151-2155.
-
(2008)
Drug Metab Dispos
, vol.36
, pp. 2151-2155
-
-
Nath, A.1
Atkins, W.2
-
15
-
-
0037068964
-
Clinical importance of the cytochromes P450
-
Nebert DW and Russell DW (2002) Clinical importance of the cytochromes P450. Lancet 360:1155-1162.
-
(2002)
Lancet
, vol.360
, pp. 1155-1162
-
-
Nebert, D.W.1
Russell, D.W.2
-
16
-
-
56749184325
-
The enzymatic basis of drug-drug interactions with systemic triazole antifungals
-
Nivoix Y, Levêque D, Herbrecht R, Koffel JC, Beretz L, and Ubeaud-Sequier G (2008) The enzymatic basis of drug-drug interactions with systemic triazole antifungals. Clin Pharmacokinet 47:779-792.
-
(2008)
Clin Pharmacokinet
, vol.47
, pp. 779-792
-
-
Nivoix, Y.1
Levêque, D.2
Herbrecht, R.3
Koffel, J.C.4
Beretz, L.5
Ubeaud-Sequier, G.6
-
17
-
-
65549132575
-
Pharmacological promiscuity: Dependence on compound properties and target specificity in a set of recent Roche compounds
-
Peters JU, Schnider P, Mattei P, and Kansy M (2009) Pharmacological promiscuity: dependence on compound properties and target specificity in a set of recent Roche compounds. ChemMedChem 4:680-686.
-
(2009)
ChemMedChem
, vol.4
, pp. 680-686
-
-
Peters, J.U.1
Schnider, P.2
Mattei, P.3
Kansy, M.4
-
18
-
-
4644271084
-
Magic shotguns versus magic bullets: Selectively non-selective drugs for mood disorders and schizophrenia
-
Roth BL, Sheffler DJ, and Kroeze WK (2004) Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia. Nat Rev Drug Discov 3:353-359.
-
(2004)
Nat Rev Drug Discov
, vol.3
, pp. 353-359
-
-
Roth, B.L.1
Sheffler, D.J.2
Kroeze, W.K.3
-
19
-
-
77954180132
-
Machine learning based prediction for peptide drift times in ion mobility spectrometry
-
Shah AR, Agarwal K, Baker ES, Singhal M, Mayampurath AM, Ibrahim YM, Kangas LJ, Monroe ME, Zhao R, Belov ME, et al. (2010) Machine learning based prediction for peptide drift times in ion mobility spectrometry. Bioinformatics 26:1601-1607.
-
(2010)
Bioinformatics
, vol.26
, pp. 1601-1607
-
-
Shah, A.R.1
Agarwal, K.2
Baker, E.S.3
Singhal, M.4
Mayampurath, A.M.5
Ibrahim, Y.M.6
Kangas, L.J.7
Monroe, M.E.8
Zhao, R.9
Belov, M.E.10
-
20
-
-
84856043672
-
A mathematical theory of communication
-
Shannon CE (1948) A mathematical theory of communication. Bell System Technical Journal 27:379-423.
-
(1948)
Bell System Technical Journal
, vol.27
, pp. 379-423
-
-
Shannon, C.E.1
-
21
-
-
33745188660
-
Screening in a spirit haunted world
-
Shoichet BK (2006) Screening in a spirit haunted world. Drug Discov Today 11:607-615.
-
(2006)
Drug Discov Today
, vol.11
, pp. 607-615
-
-
Shoichet, B.K.1
-
22
-
-
34247261031
-
Analytical approaches to determine cytochrome P450 inhibitory potential of new chemical entities in drug discovery
-
Smith D, Sadagopan N, Zientek M, Reddy A, and Cohen L (2007) Analytical approaches to determine cytochrome P450 inhibitory potential of new chemical entities in drug discovery. J Chromatogr B Analyt Technol Biomed Life Sci 850:455-463.
-
(2007)
J Chromatogr B Analyt Technol Biomed Life Sci
, vol.850
, pp. 455-463
-
-
Smith, D.1
Sadagopan, N.2
Zientek, M.3
Reddy, A.4
Cohen, L.5
-
23
-
-
78649610521
-
In silico approaches to predict DDIs
-
Pang KS, Rodrigues AD, and Peter RM eds Springer, New York
-
Stoner CL, Wester MR, and Burke BJ (2010) In silico approaches to predict DDIs, in Enzymeand Transporter-Based Drug-Drug Interactions (Pang KS, Rodrigues AD, and Peter RM eds), pp 151-168, Springer, New York.
-
(2010)
Enzymeand Transporter-Based Drug-Drug Interactions
, pp. 151-168
-
-
Stoner, C.L.1
Wester, M.R.2
Burke, B.J.3
-
24
-
-
34250882118
-
Visualisation and interpretation of support vector regression models
-
Ustün B, Melssen WJ, and Buydens LM (2007) Visualisation and interpretation of support vector regression models. Anal Chim Acta 595:299-309.
-
(2007)
Anal Chim Acta
, vol.595
, pp. 299-309
-
-
Ustün, B.1
Melssen, W.J.2
Buydens, L.M.3
-
25
-
-
70449370313
-
Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries
-
Veith H, Southall N, Huang R, James T, Fayne D, Artemenko N, Shen M, Inglese J, Austin CP, Lloyd DG, et al. (2009) Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries. Nat Biotechnol 27:1050-1055.
-
(2009)
Nat Biotechnol
, vol.27
, pp. 1050-1055
-
-
Veith, H.1
Southall, N.2
Huang, R.3
James, T.4
Fayne, D.5
Artemenko, N.6
Shen, M.7
Inglese, J.8
Austin, C.P.9
Lloyd, D.G.10
-
26
-
-
58149101972
-
Comparison of in vitro bioactivation of flutamide and its cyano analogue: Evidence for reductive activation by human NADPH:cytochrome P450 reductase
-
Wen B, Coe KJ, Rademacher P, Fitch WL, Monshouwer M, and Nelson SD (2008) Comparison of in vitro bioactivation of flutamide and its cyano analogue: evidence for reductive activation by human NADPH:cytochrome P450 reductase. Chem Res Toxicol 21:2393-2406.
-
(2008)
Chem Res Toxicol
, vol.21
, pp. 2393-2406
-
-
Wen, B.1
Coe, K.J.2
Rademacher, P.3
Fitch, W.L.4
Monshouwer, M.5
Nelson, S.D.6
-
27
-
-
55549132252
-
Development of an in vitro drug-drug interaction assay to simultaneously monitor five cytochrome P450 isoforms and performance assessment using drug library compounds
-
Zientek M, Miller H, Smith D, Dunklee MB, Heinle L, Thurston A, Lee C, Hyland R, Fahmi O, and Burdette D (2008) Development of an in vitro drug-drug interaction assay to simultaneously monitor five cytochrome P450 isoforms and performance assessment using drug library compounds. J Pharmacol Toxicol Methods 58:206-214.
-
(2008)
J Pharmacol Toxicol Methods
, vol.58
, pp. 206-214
-
-
Zientek, M.1
Miller, H.2
Smith, D.3
Dunklee, M.B.4
Heinle, L.5
Thurston, A.6
Lee, C.7
Hyland, R.8
Fahmi, O.9
Burdette, D.10
-
28
-
-
77949366888
-
Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibition
-
Zientek M, Stoner C, Ayscue R, Klug-McLeod J, Jiang Y, West M, Collins C, and Ekins S (2010) Integrated in silico-in vitro strategy for addressing cytochrome P450 3A4 time-dependent inhibition. Chem Res Toxicol 23:664-676.
-
(2010)
Chem Res Toxicol
, vol.23
, pp. 664-676
-
-
Zientek, M.1
Stoner, C.2
Ayscue, R.3
Klug-McLeod, J.4
Jiang, Y.5
West, M.6
Collins, C.7
Ekins, S.8
|