-
1
-
-
0036909285
-
Structure and mechanism of ABC transporters
-
Schmitt, L.; Tampe, R. Structure and mechanism of ABC transporters. Curr. Opin. Struct. Biol. 2002, 12, 754-760.
-
(2002)
Curr. Opin. Struct. Biol.
, vol.12
, pp. 754-760
-
-
Schmitt, L.1
Tampe, R.2
-
2
-
-
0032226550
-
Structure and function of multidrug transporters
-
van Veen, H. W.; Konings, W. N. Structure and function of multidrug transporters. Adv. Exp. Med. Biol. 1998, 456, 145-158.
-
(1998)
Adv. Exp. Med. Biol.
, vol.456
, pp. 145-158
-
-
Van Veen, H.W.1
Konings, W.N.2
-
3
-
-
0005014240
-
P-glycoprotein and multidrug resistance
-
Gottesman, M. M.; Pastan, I.; Ambudkar, S. V. P-glycoprotein and multidrug resistance. Curr. Opin. Genet. Dev. 1996, 6, 610-617.
-
(1996)
Curr. Opin. Genet. Dev.
, vol.6
, pp. 610-617
-
-
Gottesman, M.M.1
Pastan, I.2
Ambudkar, S.V.3
-
4
-
-
0032900953
-
Biochemical, cellular, and pharmacological aspects of the multidrug transporter
-
Ambudkar, S. V.; Dey, S.; Hrycyna, C, A.; Ramachandra, M.; Pastan, I.; Gottesman, M. M. Biochemical, cellular, and pharmacological aspects of the multidrug transporter. Annu. Rev. Pharmacol. Toxicol. 1999, 39, 361-398.
-
(1999)
Annu. Rev. Pharmacol. Toxicol.
, vol.39
, pp. 361-398
-
-
Ambudkar, S.V.1
Dey, S.2
Hrycyna, C.A.3
Ramachandra, M.4
Pastan, I.5
Gottesman, M.M.6
-
6
-
-
0032518290
-
The drug transporter P-glycoprotein limits oral absorption and brain entry of HIV-1 protease inhibitors
-
Kim, R. B.; Fromm, M. F.; Wandel, C.; Leake, B.; Wood, A. J.; Roden, D. M.; Wilkinson, G. R. The drug transporter P-glycoprotein limits oral absorption and brain entry of HIV-1 protease inhibitors. J. Clin. Invest. 1998, 101, 289-294.
-
(1998)
J. Clin. Invest.
, vol.101
, pp. 289-294
-
-
Kim, R.B.1
Fromm, M.F.2
Wandel, C.3
Leake, B.4
Wood, A.J.5
Roden, D.M.6
Wilkinson, G.R.7
-
7
-
-
0030800078
-
Quantitative structure-activity relationship of multidrug resistance reversal agents
-
Klopman, G.; Shi, L. M.; Ramu, A. Quantitative structure-activity relationship of multidrug resistance reversal agents. Mol. Pharmacol. 1997, 52, 323-334.
-
(1997)
Mol. Pharmacol.
, vol.52
, pp. 323-334
-
-
Klopman, G.1
Shi, L.M.2
Ramu, A.3
-
8
-
-
0034676318
-
Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis
-
Bakken, G. A.; Jurs, P. C. Classification of multidrug-resistance reversal agents using structure-based descriptors and linear discriminant analysis. J. Med. Chem. 2000, 43, 4534-4541.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 4534-4541
-
-
Bakken, G.A.1
Jurs, P.C.2
-
9
-
-
0030668258
-
Structure-activity relationships for xenobiotic transport substrates and inhibitory ligands of P-glycoprotein
-
Bain, L. J.; McLachlan, J. B.; LeBlanc, G. A. Structure-activity relationships for xenobiotic transport substrates and inhibitory ligands of P-glycoprotein. Environ. Health Perspect. 1997, 105, 812-818.
-
(1997)
Environ. Health Perspect.
, vol.105
, pp. 812-818
-
-
Bain, L.J.1
McLachlan, J.B.2
LeBlanc, G.A.3
-
10
-
-
0030791978
-
Structureactivity relationships of P-glycoprotein interacting drugs: Kinetic characterization of their effects on ATPase activity
-
Litman, T.; Zeuthen, T.; Skovsgaard, T.; Stein, W. D. Structureactivity relationships of P-glycoprotein interacting drugs: kinetic characterization of their effects on ATPase activity. Biochim. Biophys. Acta 1997, 1361, 159-168.
-
(1997)
Biochim. Biophys. Acta
, vol.1361
, pp. 159-168
-
-
Litman, T.1
Zeuthen, T.2
Skovsgaard, T.3
Stein, W.D.4
-
11
-
-
0032518454
-
A general pattern for substrate recognition by P-glycoprotein
-
Seelig, A. A general pattern for substrate recognition by P-glycoprotein. Eur. J. Biochem. 1998, 251, 252-261.
-
(1998)
Eur. J. Biochem.
, vol.251
, pp. 252-261
-
-
Seelig, A.1
-
12
-
-
0037171818
-
A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein
-
Penzotti, J. E.; Lamb, M. L.; Evensen, E.; Grootenhuis, P. D. J. A computational ensemble pharmacophore model for identifying substrates of P-glycoprotein, J. Med. Chem. 2002, 45, 1737-1740.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 1737-1740
-
-
Penzotti, J.E.1
Lamb, M.L.2
Evensen, E.3
Grootenhuis, P.D.J.4
-
13
-
-
0035473549
-
Support vector machines in combinatorial chemistry
-
Trotter, M. W. B.; Buxton, B. F.; Holden, S. B. Support vector machines in combinatorial chemistry. Measurement Control 2001, 34, 235-239.
-
(2001)
Measurement Control
, vol.34
, pp. 235-239
-
-
Trotter, M.W.B.1
Buxton, B.F.2
Holden, S.B.3
-
15
-
-
27144489164
-
A tutorial on support vector machines for pattern recognition
-
Burges, C. J. C. A tutorial on support vector machines for pattern recognition. Data Min. Knowl. Disc. 1998, 2, 127-167.
-
(1998)
Data Min. Knowl. Disc.
, vol.2
, pp. 127-167
-
-
Burges, C.J.C.1
-
16
-
-
0034602774
-
Knowledge-based analysis of microarray gene expression data by using support vector machines
-
Brown, M. P. S.; Grundy, W. N.; Lin, D.; Cristianini, N.; Sugnet, C.; Ares, J. M.; Haussler, D. Knowledge-based analysis of microarray gene expression data by using support vector machines. Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 262-267.
-
(2000)
Proc. Natl. Acad. Sci. U.S.A.
, vol.97
, pp. 262-267
-
-
Brown, M.P.S.1
Grundy, W.N.2
Lin, D.3
Cristianini, N.4
Sugnet, C.5
Ares, J.M.6
Haussler, D.7
-
17
-
-
0035014847
-
Multi class protein fold recognition using support vector machines and neural networks
-
Ding, C. H. Q.; Dubchak, I. Multi class protein fold recognition using support vector machines and neural networks. Bioinformatics 2001, 17, 349-358.
-
(2001)
Bioinformatics
, vol.17
, pp. 349-358
-
-
Ding, C.H.Q.1
Dubchak, I.2
-
18
-
-
0035023445
-
Predicting protein-protein interactions from primary structure
-
Bock, J. R.; Gough, D. A. Predicting protein-protein interactions from primary structure. Bioinformatics 2001, 17, 455-460.
-
(2001)
Bioinformatics
, vol.17
, pp. 455-460
-
-
Bock, J.R.1
Gough, D.A.2
-
19
-
-
0042622243
-
SVM-Prot: Web-based support vector machine software for functional classification of a protein from its primary sequence
-
Cai, C. Z.; Han, L. Y.; Ji, Z. L.; Chen, X.; Chen, Y. Z. SVM-Prot: Web-based support vector machine software for functional classification of a protein from its primary sequence. Nucleic Acids Res. 2003, 31, 3692-3697.
-
(2003)
Nucleic Acids Res.
, vol.31
, pp. 3692-3697
-
-
Cai, C.Z.1
Han, L.Y.2
Ji, Z.L.3
Chen, X.4
Chen, Y.Z.5
-
20
-
-
2442700335
-
Prediction of torsadecausing potential of drugs by support vector machine approach
-
Yap, C. W.; Cai, C. Z.; Xue, Y.; Chen, Y. Z. Prediction of torsadecausing potential of drugs by support vector machine approach. Toxicol. Sci. 2004, 79, 170-177.
-
(2004)
Toxicol. Sci.
, vol.79
, pp. 170-177
-
-
Yap, C.W.1
Cai, C.Z.2
Xue, Y.3
Chen, Y.Z.4
-
21
-
-
0037196307
-
Support vector machines for predicting HIV protease cleavage sites in protein
-
Cai, Y. p.; Liu, X. J.; Xu, X. B.; Chou, K. C. Support vector machines for predicting HIV protease cleavage sites in protein. J. Comput. Chem. 2002, 23, 267-274.
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 267-274
-
-
Cai, Y.P.1
Liu, X.J.2
Xu, X.B.3
Chou, K.C.4
-
23
-
-
0027692921
-
Traditional topological indices vs electronic, geometrical and combined molecular descriptors in QSAR/QSPR research
-
Katritzky, A. R.; Gordeeva, E. V. Traditional topological indices vs electronic, geometrical and combined molecular descriptors in QSAR/QSPR research. J. Chem. Inf. Comput. Sci. 1993, 33, 835-857.
-
(1993)
J. Chem. Inf. Comput. Sci.
, vol.33
, pp. 835-857
-
-
Katritzky, A.R.1
Gordeeva, E.V.2
-
24
-
-
0033800498
-
Volsurf: A new tool for the pharmacokinetic optimization of lead compounds
-
Cruciani, G.; Pastor, M.; Guba, W. Volsurf: a new tool for the pharmacokinetic optimization of lead compounds. Eur. J. Pharm. Sci. 2000, 11, S29-S39.
-
(2000)
Eur. J. Pharm. Sci.
, vol.11
-
-
Cruciani, G.1
Pastor, M.2
Guba, W.3
-
26
-
-
0001728908
-
Quantum-chemical descriptors in QSAR/QSPR studies
-
Karelson, M.; et al. Quantum-chemical descriptors in QSAR/QSPR studies. Chem. Rev. 1996, 96, 1027-1043.
-
(1996)
Chem. Rev.
, vol.96
, pp. 1027-1043
-
-
Karelson, M.1
-
27
-
-
4043079283
-
Evaluation of a method for improving the computation speed of molecular descriptors for drug property analysis
-
Submitted for publication
-
Xue, Y.; Yap, C. W.; Li, Z. R.; Chen, Y. Z. Evaluation of a method for improving the computation speed of molecular descriptors for drug property analysis. Acta Pharmacol. Sin. 2004, Submitted for publication.
-
(2004)
Acta Pharmacol. Sin.
-
-
Xue, Y.1
Yap, C.W.2
Li, Z.R.3
Chen, Y.Z.4
-
28
-
-
44749083335
-
Discovering compact and highly discriminative features or feature combinations of drug activities using support vector machines
-
Yu, H.; Yang, J.; Wang, W.; Han, J. Discovering compact and highly discriminative features or feature combinations of drug activities using support vector machines. Proc. IEEE Comput. Soc. Bioinformatics Conf. (CSB) 2003, 220-228.
-
(2003)
Proc. IEEE Comput. Soc. Bioinformatics Conf. (CSB)
, pp. 220-228
-
-
Yu, H.1
Yang, J.2
Wang, W.3
Han, J.4
-
29
-
-
2942585528
-
Feature subset selection for splice site prediction
-
Degroeve, S.; De Baets, B.; Van de Peer, Y.; Rouzé, P. Feature subset selection for splice site prediction. Bioinformatics 2002, 18, S75-S83.
-
(2002)
Bioinformatics
, vol.18
-
-
Degroeve, S.1
De Baets, B.2
Van De Peer, Y.3
Rouzé, P.4
-
30
-
-
0003816887
-
-
Research Studies Press: Wiley: Letchworth, Hertfordshire, England, New York
-
Kier, L. B.; Hall, L. H. Molecular connectivity in structure-activity analysis; Research Studies Press: Wiley: Letchworth, Hertfordshire, England, New York, 1986.
-
(1986)
Molecular Connectivity in Structure-activity Analysis
-
-
Kier, L.B.1
Hall, L.H.2
-
31
-
-
0000805679
-
The molecular connectivity chi indices and kappa shape indices in structure-property modeling
-
Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York
-
Hall, L. H.; Kier, L. B. The molecular connectivity chi indices and kappa shape indices in structure-property modeling. In Reviews of Computational Chemistry; Lipkowitz, K. B., Boyd, D. B., Eds.; VCH Publishers: New York; 1991; Vol. 2, pp 367-412.
-
(1991)
Reviews of Computational Chemistry
, vol.2
, pp. 367-412
-
-
Hall, L.H.1
Kier, L.B.2
-
32
-
-
33751499087
-
The electrotopological state: Structure information at the atomic level for molecular graphs
-
Hall, L. H.; Mohney, B. K.; Kier, L. B. The electrotopological state: Structure information at the atomic level for molecular graphs. J. Chem. Inf. Comput. Sci. 1991, 31, 76-82.
-
(1991)
J. Chem. Inf. Comput. Sci.
, vol.31
, pp. 76-82
-
-
Hall, L.H.1
Mohney, B.K.2
Kier, L.B.3
-
33
-
-
0029404240
-
Electrotopological state indices for atom types: A novel combination of electronic, topological, and valence state information
-
Hall, L. H.; Kier, L. B. Electrotopological state indices for atom types: A novel combination of electronic, topological, and valence state information. J. Chem. Inf. Comput. Sci. 1995, 35, 1039-1045.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 1039-1045
-
-
Hall, L.H.1
Kier, L.B.2
-
34
-
-
0842341771
-
Development and use of quantum mechanical molecular models, 76. AMI: A new general purpose quantum mechanical molecular model
-
Dewar, M. J. S.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. Development and use of quantum mechanical molecular models, 76. AMI: a new general purpose quantum mechanical molecular model. J. Am. Chem. Soc. 1985, 107, 3902-3909.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902-3909
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healy, E.F.3
Stewart, J.J.P.4
-
35
-
-
0038031513
-
Application of quantum chemical descriptors in quantitative structure activity and structure property relationship
-
Thanikaivelan, P.; Subramanian, V.; Raghava, J.; Rao, J. R.; Nair, B. U. Application of quantum chemical descriptors in quantitative structure activity and structure property relationship. Chem. Phys. Lett. 2000, 323, 59-70.
-
(2000)
Chem. Phys. Lett.
, vol.323
, pp. 59-70
-
-
Thanikaivelan, P.1
Subramanian, V.2
Raghava, J.3
Rao, J.R.4
Nair, B.U.5
-
36
-
-
33847086085
-
A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis
-
Hopfinger, A. J. A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis. J. Am. Chem. Soc. 1980, 102, 7196-7206.
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 7196-7206
-
-
Hopfinger, A.J.1
-
37
-
-
0037197254
-
Novel computer program for fast exact calculation of accessible and molecular surface areas and average surface curvature
-
Tsodikov, O. V.; Record, M. T. J.; Sergeev, Y. V. Novel computer program for fast exact calculation of accessible and molecular surface areas and average surface curvature. J. Comput. Chem. 2002, 23, 600-609.
-
(2002)
J. Comput. Chem.
, vol.23
, pp. 600-609
-
-
Tsodikov, O.V.1
Record, M.T.J.2
Sergeev, Y.V.3
-
38
-
-
0032632418
-
Molecular diversity and representativity in chemical databases
-
Bayada, D. M.; Hamersma, H.; van Geerestein, V. J. Molecular diversity and representativity in chemical databases. J. Chem. Inf. Comput. Sci. 1999, 39, 1-10.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 1-10
-
-
Bayada, D.M.1
Hamersma, H.2
Van Geerestein, V.J.3
-
39
-
-
0033636139
-
Support vector machine classification and validation of cancer tissue samples using microarray expression data
-
Furey, T. S.; Cristianini, N.; Duffy, N.; Bednarski, D. W.; Schummer, M.; Haussler, D. Support vector machine classification and validation of cancer tissue samples using microarray expression data. Bioinformatics 2000, 16, 906-914.
-
(2000)
Bioinformatics
, vol.16
, pp. 906-914
-
-
Furey, T.S.1
Cristianini, N.2
Duffy, N.3
Bednarski, D.W.4
Schummer, M.5
Haussler, D.6
-
40
-
-
0036161259
-
Gene selection for cancer classification using support vector machines
-
Guyon, I.; Weston, J.; Barnhill, S.; Vapnik, V. Gene selection for cancer classification using support vector machines. Mach. Learn. 2002, 46, 389-422.
-
(2002)
Mach. Learn.
, vol.46
, pp. 389-422
-
-
Guyon, I.1
Weston, J.2
Barnhill, S.3
Vapnik, V.4
-
41
-
-
0037813165
-
An accelerated procedure for recursive feature ranking on microarray data
-
Furlanello, C.; Serafini, M.; Merler, S.; Jurman, G. An accelerated procedure for recursive feature ranking on microarray data. Neural Networks 2003, 16, 641-648.
-
(2003)
Neural Networks
, vol.16
, pp. 641-648
-
-
Furlanello, C.1
Serafini, M.2
Merler, S.3
Jurman, G.4
-
42
-
-
0031381525
-
Wrappers for feature subset selection
-
Kohavi, R.; John, G. H. Wrappers for feature subset selection. Artif. Intelligence 1997, 97, 273-324.
-
(1997)
Artif. Intelligence
, vol.97
, pp. 273-324
-
-
Kohavi, R.1
John, G.H.2
-
43
-
-
0034740222
-
Drug design by machine learning: Support vector machines for pharmaceutical data analysis
-
Burbidge, R.; Trotter, M.; Buxton, B.; Holden, S. Drug design by machine learning: support vector machines for pharmaceutical data analysis. Comput. Chem. 2001, 26, 5-14.
-
(2001)
Comput. Chem.
, vol.26
, pp. 5-14
-
-
Burbidge, R.1
Trotter, M.2
Buxton, B.3
Holden, S.4
-
44
-
-
0035150169
-
Use of support vector machine in pattern classification: Application to QSAR studies
-
Czerminski, R.; Yasri, A.; Hartsough, D. Use of support vector machine in pattern classification: Application to QSAR studies. Quant. Struct.-Act. Relat. 2001, 20, 227-240.
-
(2001)
Quant. Struct.-act. Relat.
, vol.20
, pp. 227-240
-
-
Czerminski, R.1
Yasri, A.2
Hartsough, D.3
-
45
-
-
0036182825
-
Screening with tumor markers
-
Roulston, J. E. Screening with tumor markers. Mol. Pharmacol. 2002, 20, 153-162.
-
(2002)
Mol. Pharmacol.
, vol.20
, pp. 153-162
-
-
Roulston, J.E.1
-
46
-
-
0033931867
-
Assessing the accuracy of prediction algorithms for classification: An overview
-
Baldi, P.; Brunak, S.; Chauvin, Y.; Andersen, C. A.; Nielsen, H. Assessing the accuracy of prediction algorithms for classification: an overview. Bioinformatics 2000, 16, 412-424.
-
(2000)
Bioinformatics
, vol.16
, pp. 412-424
-
-
Baldi, P.1
Brunak, S.2
Chauvin, Y.3
Andersen, C.A.4
Nielsen, H.5
-
49
-
-
0025206332
-
Probabilistic neural networks
-
Specht, D. F. Probabilistic neural networks. Neural Networks 1990, 3, 109-118.
-
(1990)
Neural Networks
, vol.3
, pp. 109-118
-
-
Specht, D.F.1
-
51
-
-
0034077338
-
Theoretical calculation and prediction of P-glycoprotein-interacting drugs using MolSurf parametrization and PLS statistics
-
Osterberg, T.; Norinder, U. Theoretical calculation and prediction of P-glycoprotein-interacting drugs using MolSurf parametrization and PLS statistics. Eur. J. Pharm. Sci. 2000, 10, 295-303.
-
(2000)
Eur. J. Pharm. Sci.
, vol.10
, pp. 295-303
-
-
Osterberg, T.1
Norinder, U.2
-
52
-
-
0036161011
-
Choosing multiple parameters for support vector machines
-
Chapelle, O.; Vapnik, V.; Bousquet, O.; Mukherjee, S. Choosing multiple parameters for support vector machines. Mach. Learn. 2002, 46, 131-159.
-
(2002)
Mach. Learn.
, vol.46
, pp. 131-159
-
-
Chapelle, O.1
Vapnik, V.2
Bousquet, O.3
Mukherjee, S.4
|