-
4
-
-
0001500115
-
Functions of positive and negative type and their connection with the theory of integral equations
-
J. Mercer. Functions of Positive and Negative Type and Their Connection with the Theory of Integral Equations. Philos. Trans. Roy. Soc. London, 1909, A209, pp. 415-446.
-
(1909)
Philos. Trans. Roy. Soc. London
, vol.A209
, pp. 415-446
-
-
Mercer, J.1
-
5
-
-
0038259114
-
Classes of kernels for machine learning: A statistics perspective
-
M. G. Genton. Classes of Kernels for Machine Learning: A Statistics Perspective. Journal of Machine Learning, 2001, 2, pp. 299-312.
-
(2001)
Journal of Machine Learning
, vol.2
, pp. 299-312
-
-
Genton, M.G.1
-
9
-
-
33744584654
-
Induction of decision trees
-
J. R. Quinlan. Induction of Decision Trees. Machine Learning, 1986, 1, pp. 81-106.
-
(1986)
Machine Learning
, vol.1
, pp. 81-106
-
-
Quinlan, J.R.1
-
11
-
-
0033670134
-
Engineering support vector machine kernels that recognize translation initiation sites
-
A. Zien, G. Ratsch, S. Mika, B. Scholkopf, C. Lemmen, A. Smola, T. Lengauer and K.-R. Muller. Engineering Support Vector Machine Kernels that Recognize Translation Initiation Sites. Bioinformatics, 2000, 16 (9), pp. 799-807.
-
(2000)
Bioinformatics
, vol.16
, Issue.9
, pp. 799-807
-
-
Zien, A.1
Ratsch, G.2
Mika, S.3
Scholkopf, B.4
Lemmen, C.5
Smola, A.6
Lengauer, T.7
Muller, K.-R.8
-
12
-
-
0013261101
-
A tree kernel to analyze phylogenetic profiles
-
J.-P. Vert. A Tree Kernel to Analyze Phylogenetic Profiles. Bioinformatics, 2002, 1 (1), pp. 1-9.
-
(2002)
Bioinformatics
, vol.1
, Issue.1
, pp. 1-9
-
-
Vert, J.-P.1
-
13
-
-
84899032333
-
Probabilistic methods for Support Vector Machines
-
S. A. Solla, T. K. Leen and K.-R. Muller, editors, MIT Press, Cambridge, MA
-
P. Sollich. Probabilistic methods for Support Vector Machines. In S. A. Solla, T. K. Leen and K.-R. Muller, editors, Advances in Neural Information Processing Systems 12, MIT Press, Cambridge, MA, 2000, pp. 349-355.
-
(2000)
Advances in Neural Information Processing Systems 12
, pp. 349-355
-
-
Sollich, P.1
-
14
-
-
85164392958
-
A study of cross-validation and bootstrap for accuracy estimation and model selection
-
Morgan Kaufmann, San Mateo, CA
-
R. Kohavi. A study of cross-validation and bootstrap for accuracy estimation and model selection. In Proceedings of the Fourteenth International Joint Conference on Artificial Intelligence, Morgan Kaufmann, San Mateo, CA, 1995, pp. 1137-1142.
-
(1995)
Proceedings of the Fourteenth International Joint Conference on Artificial Intelligence
, pp. 1137-1142
-
-
Kohavi, R.1
-
15
-
-
0001986205
-
Data domain description by support vectors
-
M. Vefieysen, editor, D. Facto Press, Brussels, Belgium
-
D. Tax and R. Duin. Data Domain Description by Support Vectors. In M. Vefieysen, editor, Proc. ESANN, D. Facto Press, Brussels, Belgium, 1999, pp. 251-256.
-
(1999)
Proc. ESANN
, pp. 251-256
-
-
Tax, D.1
Duin, R.2
-
16
-
-
0013109655
-
A comparison of methods for multiclass support vector machines
-
Department of Computer Science and Information Engineering, National Taiwan University, Taipei, Taiwan
-
C.-W. Hsu and C.-J. Lin. A comparison of methods for multiclass support vector machines. Technical Report, Department of Computer Science and Information Engineering, National Taiwan University, Taipei, Taiwan, 2001.
-
(2001)
Technical Report
-
-
Hsu, C.-W.1
Lin, C.-J.2
-
17
-
-
0032735695
-
Neural networks for drug discovery: Have they lived up to their promise?
-
D. T. Manallack and D. J. Livingstone. Neural Networks for Drug Discovery: Have They Lived Up to Their Promise? Eur. J. Med. Chem., 1999, 34, pp. 195-208.
-
(1999)
Eur. J. Med. Chem.
, vol.34
, pp. 195-208
-
-
Manallack, D.T.1
Livingstone, D.J.2
-
18
-
-
0033496231
-
Combinatorial chemistry, automation and molecular diversity: New trends in the pharmaceutical industry
-
L. Van Hijfte, G. Marciniak and N. Froloff. Combinatorial Chemistry, Automation and Molecular Diversity: New Trends in the Pharmaceutical Industry. Journal of Chromatography, 1999, 725, pp. 3-15.
-
(1999)
Journal of Chromatography
, vol.725
, pp. 3-15
-
-
Van Hijfte, L.1
Marciniak, G.2
Froloff, N.3
-
19
-
-
0037082199
-
The emerging importance of predictive ADME simulation in drug discovery
-
A. P. Beresford, H. E. Selick and M. H. Tarbit. The Emerging Importance of Predictive ADME Simulation in Drug Discovery. Drug Discovery Today, 2002, 7 (2), pp. 109-116.
-
(2002)
Drug Discovery Today
, vol.7
, Issue.2
, pp. 109-116
-
-
Beresford, A.P.1
Selick, H.E.2
Tarbit, M.H.3
-
23
-
-
0021871375
-
A computational procedure for determining energetically favourable binding sites on biologically important macromolecules
-
P. J. Goodford. A Computational Procedure for Determining Energetically Favourable Binding Sites on Biologically Important Macromolecules. J. Med. Chem., 1995, 28, pp. 849-857.
-
(1995)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
24
-
-
0033800498
-
VolSurf, A new image processing method for 3D grid map and QSAR studies
-
G. Cruciani, M. Pastor and W. Guba. VolSurf, A New Image Processing Method for 3D Grid Map and QSAR Studies. Europ. J. Pharm. Sci., 2000, 11, pp. 29-39.
-
(2000)
Europ. J. Pharm. Sci.
, vol.11
, pp. 29-39
-
-
Cruciani, G.1
Pastor, M.2
Guba, W.3
-
26
-
-
0004117251
-
-
Daylight Chemical Information Systems Inc., 27401 Los Altos, Suite #360, Mission Viejo, CA
-
C. A. James, D. Weininger and J. Delaney, Daylight Theory Manual - Daylight 4.71 Daylight Chemical Information Systems Inc., 27401 Los Altos, Suite #360, Mission Viejo, CA, 2000.
-
(2000)
Daylight Theory Manual - Daylight 4.71
-
-
James, C.A.1
Weininger, D.2
Delaney, J.3
-
28
-
-
0032015361
-
Identification of biological activity profiles using substructural analysis and genetic algorithms
-
V. Gillet, P. Willett and J. Bradshaw. Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms. Journal of Chemical Information in Computer Science, 1998, 38, pp. 165-179.
-
(1998)
Journal of Chemical Information in Computer Science
, vol.38
, pp. 165-179
-
-
Gillet, V.1
Willett, P.2
Bradshaw, J.3
-
31
-
-
0032572819
-
Can we learn to distinguish between drug-like and nondrug-like molecules?
-
X. Ajay, W. P. Walters and M. A. Murcko. Can we Learn to Distinguish Between Drug-Like and Nondrug-Like Molecules? J. Med. Chem., 1998, 41, pp. 3314-3324.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 3314-3324
-
-
Ajay, X.1
Walters, W.P.2
Murcko, M.A.3
-
32
-
-
0032572816
-
A scoring scheme for discriminating between drugs and non-drugs
-
J. Sadowski and H. Kubinyi. A Scoring Scheme for Discriminating Between Drugs and Non-drugs. J. Med. Chem., 1998, 41, pp. 3325-3329.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 3325-3329
-
-
Sadowski, J.1
Kubinyi, H.2
-
33
-
-
0034038901
-
Optimization of chemical libraries by neural networks
-
J. Sadowski, Optimization of Chemical Libraries by Neural Networks. Current Opinion in Chemical Biology, 2000, 4, pp. 280-282.
-
(2000)
Current Opinion in Chemical Biology
, vol.4
, pp. 280-282
-
-
Sadowski, J.1
-
36
-
-
0030769940
-
Analysis of a large structure-activity data set using recursive partitioning
-
D. M. Hawkins, S. S. Young and A. Rusinko. Analysis of a Large Structure-Activity Data Set Using Recursive Partitioning. Quantitative Structure-Activity Relationships, 1997, 16 (4), pp. 296-302.
-
(1997)
Quantitative Structure-Activity Relationships
, vol.16
, Issue.4
, pp. 296-302
-
-
Hawkins, D.M.1
Young, S.S.2
Rusinko, A.3
-
37
-
-
0034740222
-
Drug design by machine learning: Support vector machines for pharmaceutical data
-
R. Burbidge, M. W. B. Trotter, S. B. Holden and B. F. Buxton. Drug Design by Machine Learning: Support Vector Machines for Pharmaceutical Data. Computers and Chemistry, 2001, 26 (1), pp. 4-15.
-
(2001)
Computers and Chemistry
, vol.26
, Issue.1
, pp. 4-15
-
-
Burbidge, R.1
Trotter, M.W.B.2
Holden, S.B.3
Buxton, B.F.4
-
38
-
-
0037365194
-
Support vector machines for active learning in the drug discovery process
-
M. K. Warmuth, J. Liao, G. Ratsch, M. Mathieson, S. Putta and C. Lemmen. Support Vector Machines for Active Learning in the Drug Discovery Process. To appear in JCICS, 2003.
-
(2003)
To Appear in JCICS
-
-
Warmuth, M.K.1
Liao, J.2
Ratsch, G.3
Mathieson, M.4
Putta, S.5
Lemmen, C.6
-
41
-
-
85192671917
-
-
Rensselaer Polytechnic Institute, New York, USA
-
M. Embrechts, C. Breneman and K. Bennett. Automated Design and Discovery of Novel Pharmaceutical using Semi-Supervised Learning in Large Molecular Databases. www.drugmining.com, Rensselaer Polytechnic Institute, New York, USA, 2003.
-
(2003)
Automated Design and Discovery of Novel Pharmaceutical Using Semi-Supervised Learning in Large Molecular Databases
-
-
Embrechts, M.1
Breneman, C.2
Bennett, K.3
-
45
-
-
0032269667
-
Similarity and dissimilarity methods for processing chemical structure databases
-
V. Gillet, D. Wild, P. Willett and J. Bradshaw. Similarity and Dissimilarity Methods for Processing Chemical Structure Databases. The Computer Journal, 1998, 41 (8), pp. 547-558.
-
(1998)
The Computer Journal
, vol.41
, Issue.8
, pp. 547-558
-
-
Gillet, V.1
Wild, D.2
Willett, P.3
Bradshaw, J.4
-
46
-
-
84894887900
-
Computer aided design of experiments
-
R. W. Kennard and L. A. Stone. Computer Aided Design of Experiments. Technomet., 1969, 11, pp. 137-148.
-
(1969)
Technomet.
, vol.11
, pp. 137-148
-
-
Kennard, R.W.1
Stone, L.A.2
-
47
-
-
0007210317
-
Realisable classifiers: Improving operating performance on variable cost problems
-
Southampton, UK
-
M. J. J. Scott, M. Niranjan and R. W. Prager. Realisable Classifiers: Improving Operating Performance on Variable Cost Problems. British Machine Vision Conference, Southampton, UK, 1998.
-
(1998)
British Machine Vision Conference
-
-
Scott, M.J.J.1
Niranjan, M.2
Prager, R.W.3
-
48
-
-
0016772212
-
Comparison of the predicted and observed secondary structure of T4 phage lysozyme
-
B. W. Matthews. Comparison of the Predicted and Observed Secondary Structure of T4 Phage Lysozyme. Biochim. Biophys. Acta, 1975, 405, pp. 442-451.
-
(1975)
Biochim. Biophys. Acta
, vol.405
, pp. 442-451
-
-
Matthews, B.W.1
-
49
-
-
85192678554
-
-
SPSS. Clementine v5.1. http://www.spss.com, 1999.
-
(1999)
Clementine v5.1
-
-
-
50
-
-
85192681949
-
-
Mathworks. Matlab v6. http://www.mathworks.com, 1999.
-
(1999)
Matlab v6
-
-
-
51
-
-
0033289037
-
Using the fisher kernel method to detect remote protein homologies
-
T. Lengauer, R. Schneider, P. Bork, D. Brutlag, J. Glasgow, H. W. Mewes and R. Zimmer, editors, AAAI Press, Heidelberg, Germany
-
T. Jaakkola, M. Diekhans and D. Haussler. Using the Fisher Kernel Method to Detect Remote Protein Homologies, In T. Lengauer, R. Schneider, P. Bork, D. Brutlag, J. Glasgow, H. W. Mewes and R. Zimmer, editors, Proceedings of the Seventh International Conference on Intelligent Systems for Molecular Biology, AAAI Press, Heidelberg, Germany, 1999, pp. 149-158.
-
(1999)
Proceedings of the Seventh International Conference on Intelligent Systems for Molecular Biology
, pp. 149-158
-
-
Jaakkola, T.1
Diekhans, M.2
Haussler, D.3
-
53
-
-
0031272926
-
Comparing support vector machines with Gaussian kernels to radial basis function classifiers
-
B. Scholkopf, K. Sung, C. Burges, F. Girosi, P. Niyogi, T. Poggio and V. Vapnik. Comparing Support Vector Machines with Gaussian Kernels to Radial Basis Function Classifiers. IEEE Trans. Sign. Processing, 1997, 45, pp. 2758-2765.
-
(1997)
IEEE Trans. Sign. Processing
, vol.45
, pp. 2758-2765
-
-
Scholkopf, B.1
Sung, K.2
Burges, C.3
Girosi, F.4
Niyogi, P.5
Poggio, T.6
Vapnik, V.7
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