-
1
-
-
0003653432
-
-
Addison-Wesley: Reading, MA
-
Sears, F. W.; Salinger, G. Thermodynamics, Kinetic Theory, and Statistical Thermodynamics, 3rd ed.; Addison-Wesley: Reading, MA, 1975.
-
(1975)
Thermodynamics, Kinetic Theory, and Statistical Thermodynamics, 3rd Ed.
-
-
Sears, F.W.1
Salinger, G.2
-
2
-
-
0032735695
-
Neural networks in drug discovery: Have they lived up to their promise?
-
Manallack, D. T.; Livingstone, D. J. Neural networks in drug discovery: have they lived up to their promise? Eur. J. Med. Chem. 1999, 34, 95-208.
-
(1999)
Eur. J. Med. Chem.
, vol.34
, pp. 95-208
-
-
Manallack, D.T.1
Livingstone, D.J.2
-
4
-
-
0037233257
-
Membership authentication in the dynamic group by face classification using SVM ensemble
-
Pang, S. N.; Kim, D.; Bang, S. Y. Membership authentication in the dynamic group by face classification using SVM ensemble. Pattern Recognit. Lett. 2003, 24, 215-225.
-
(2003)
Pattern Recognit. Lett.
, vol.24
, pp. 215-225
-
-
Pang, S.N.1
Kim, D.2
Bang, S.Y.3
-
5
-
-
0038512079
-
Diagnosing breast cancer based on support vector machines
-
Liu, H. X.; Zhang, R. S.; Luan, F.; Yao, X. J.; Liu, M. C.; Hu, Z. D.; Fan, B. T. Diagnosing breast cancer based on support vector machines. J. Chem. Inf. Comput. Sci. 2003, 43, 900-907.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 900-907
-
-
Liu, H.X.1
Zhang, R.S.2
Luan, F.3
Yao, X.J.4
Liu, M.C.5
Hu, Z.D.6
Fan, B.T.7
-
6
-
-
0345548661
-
Comparison of support vector machine and artificial neural network systems for drug/nNondrug classification
-
Byvatov, E.; Fechner, U.; Sadowski, J.; Schneider, G. Comparison of support vector machine and artificial neural network systems for drug/nNondrug classification. J. Chem. Inf. Comput. Sci. 2003, 43, 1882-1889.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 1882-1889
-
-
Byvatov, E.1
Fechner, U.2
Sadowski, J.3
Schneider, G.4
-
7
-
-
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
-
8
-
-
0043201408
-
QSAR study of ethyl 2-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-4- (trifluoromethyl) pyrimidine-5-carboxylate: An inhibitor of AP-1 and NF-KB mediated gene expression based on support vector machines
-
Liu, H. X.; Zhang, R. S.; Yao, X. J.; Liu, M. C.; Hu, Z. D.; Fan, B. T. QSAR study of ethyl 2-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-4- (trifluoromethyl) pyrimidine-5-carboxylate: an inhibitor of AP-1 and NF-KB mediated gene expression based on support vector machines. J. Chem. Inf. Comput. Sci. 2003, 43, 1288-1296.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 1288-1296
-
-
Liu, H.X.1
Zhang, R.S.2
Yao, X.J.3
Liu, M.C.4
Hu, Z.D.5
Fan, B.T.6
-
9
-
-
1542635893
-
Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs
-
Liu, H. X.; Zhang, R. S.; Yao, X. J.; Liu, M. C.; Hu, Z. D.; Fan, B. T. Prediction of the isoelectric point of an amino acid based on GA-PLS and SVMs. J. Chem. Inf. Comput. Sci. 2004, 43, 161-167.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 161-167
-
-
Liu, H.X.1
Zhang, R.S.2
Yao, X.J.3
Liu, M.C.4
Hu, Z.D.5
Fan, B.T.6
-
10
-
-
1842810088
-
An accurate QSPR study of O-H bond dissociation energy in substituted phenols based on support vector machines
-
Xue, C. X.; Zhang, R. S.; Liu, H. X.; Yao, X. J.; Liu, M. C.; Hu, Z. D.; Fan, B. T. An accurate QSPR study of O-H bond dissociation energy in substituted phenols based on support vector machines. J. Chem. Inf. Comput. Sci. 2004, 44, 669-677.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 669-677
-
-
Xue, C.X.1
Zhang, R.S.2
Liu, H.X.3
Yao, X.J.4
Liu, M.C.5
Hu, Z.D.6
Fan, B.T.7
-
11
-
-
2942704236
-
Study of the quantitative structure-mobility relationship of carboxylic acids in capillary electrophoresis based on support vector machines
-
in press
-
Xue, C. X.; Zhang, R. S.; Liu, M. C.; Hu, Z. D.; Fan, B. T. Study of the quantitative structure-mobility relationship of carboxylic acids in capillary electrophoresis based on support vector machines. J. Chem. Inf. Comput. Sci. 2004, in press.
-
(2004)
J. Chem. Inf. Comput. Sci.
-
-
Xue, C.X.1
Zhang, R.S.2
Liu, M.C.3
Hu, Z.D.4
Fan, B.T.5
-
13
-
-
4043118260
-
-
http://srdata.nist.gov/cccbdb/.
-
-
-
-
15
-
-
0003845932
-
-
QCPE, No. 455, Indiana University, Bloomington, IN
-
Stewart, J. P. P. MOPAC 6.0, Quantum Chemistry Program Exchange; QCPE, No. 455, Indiana University, Bloomington, IN, 1989.
-
(1989)
MOPAC 6.0, Quantum Chemistry Program Exchange
-
-
Stewart, J.P.P.1
-
16
-
-
0037923492
-
Radial basis function network-based quantitative structure-property relationship for the prediction of Henry's law constant
-
Yao, X. J.; Liu, M. C.; Zhang, X. Y.; Hu, Z. D.; Fan, B. T. Radial basis function network-based quantitative structure-property relationship for the prediction of Henry's law constant. Anal. Chim. Acta 2002, 462, 101-117.
-
(2002)
Anal. Chim. Acta
, vol.462
, pp. 101-117
-
-
Yao, X.J.1
Liu, M.C.2
Zhang, X.Y.3
Hu, Z.D.4
Fan, B.T.5
-
17
-
-
0037188453
-
Radial basis function neural network-based QSPR for the prediction of critical temperature
-
Yao, X. J.; Wang, Y. W.; Zhang, X. Y.; Zhang, R. S.; Liu, M. C.; Hu, Z. D.; Fan, B. T. Radial basis function neural network-based QSPR for the prediction of critical temperature. Chemom. Intell. Lab. Syst. 2002, 62, 217-225.
-
(2002)
Chemom. Intell. Lab. Syst.
, vol.62
, pp. 217-225
-
-
Yao, X.J.1
Wang, Y.W.2
Zhang, X.Y.3
Zhang, R.S.4
Liu, M.C.5
Hu, Z.D.6
Fan, B.T.7
-
20
-
-
27144489164
-
A tutorial on support vector machines for pattern recognition
-
Burges, C. J. C. A tutorial on support vector machines for pattern recognition. Data Mining Knowledge Discovery 1998, 2(2), 1-47.
-
(1998)
Data Mining Knowledge Discovery
, vol.2
, Issue.2
, pp. 1-47
-
-
Burges, C.J.C.1
-
28
-
-
0242320493
-
Hyperparameter design criteria for support vector classifiers
-
Anguita, D.; Ridella, S.; Rivieccio, F.; Zunino, R. Hyperparameter design criteria for support vector classifiers. Neurocomputing 2003, 55, 109-134.
-
(2003)
Neurocomputing
, vol.55
, pp. 109-134
-
-
Anguita, D.1
Ridella, S.2
Rivieccio, F.3
Zunino, R.4
|