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Volumn 43, Issue 2, 2003, Pages 485-492

Modeling toxicity by using supervised Kohonen neural networks

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICALS; DATA MINING; MATHEMATICAL MODELS; NEURAL NETWORKS; STEREOCHEMISTRY;

EID: 0345381744     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0256182     Document Type: Conference Paper
Times cited : (47)

References (27)
  • 1
    • 0344236537 scopus 로고    scopus 로고
    • http://clogp.pomona.edu/medehem/chem/qsar-db/.
  • 2
    • 0344667910 scopus 로고    scopus 로고
    • Chemical Abstracts Service, ACS, 2540 Olentangy River Road, P.O. Box 3012, Columbus, OH 43210
    • Chemical Abstracts Service, ACS, 2540 Olentangy River Road, P.O. Box 3012, Columbus, OH 43210.
  • 3
    • 0028949465 scopus 로고
    • QSAR in toxicology 1. Prediction of aquatic toxicity
    • Cronin, M. T. D.; Dearden, J. C. QSAR in Toxicology 1. Prediction of Aquatic Toxicity. Quant. Struct.-Act. Relat. 1995, 14, 1-5.
    • (1995) Quant. Struct.-Act. Relat. , vol.14 , pp. 1-5
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 4
    • 0029070867 scopus 로고
    • QSAR in toxicology 2. Prediction of acute mammalian toxicity and interspecies relationships
    • Cronin, M. T. D.; Dearden J. C. QSAR in Toxicology 2. Prediction of Acute Mammalian Toxicity and Interspecies Relationships. Quant. Struct.-Act. Relat. 1995, 14, 117-120.
    • (1995) Quant. Struct.-Act. Relat. , vol.14 , pp. 117-120
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 5
    • 0028839283 scopus 로고
    • QSAR in toxicology 3. Prediction of chronic toxicities
    • Cronin, M. T. D.; Dearden J. C. QSAR in Toxicology 3. Prediction of Chronic Toxicities. Quant. Struct.-Act. Relat. 1995, 14, 329-334.
    • (1995) Quant. Struct.-Act. Relat. , vol.14 , pp. 329-334
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 6
    • 0029586108 scopus 로고
    • QSAR in toxicology 4. Prediction of nonlethal mammalian toxicological endpoints and expert systems for toxicity prediction
    • Cronin, M. T. D.; Dearden J. C. QSAR in Toxicology 4. Prediction of Nonlethal mammalian toxicological endpoints and expert systems for toxicity prediction. Quant. Struct.-Act. Relat. 1995, 14, 518-523.
    • (1995) Quant. Struct.-Act. Relat. , vol.14 , pp. 518-523
    • Cronin, M.T.D.1    Dearden, J.C.2
  • 7
    • 0030941637 scopus 로고    scopus 로고
    • Computational predictive programs (expert systems) in toxicology
    • Benfenati, E.; Gini, G. Computational predictive programs (expert systems) in toxicology. Toxicology 1997, 119, 213-225.
    • (1997) Toxicology , vol.119 , pp. 213-225
    • Benfenati, E.1    Gini, G.2
  • 9
    • 0033217369 scopus 로고    scopus 로고
    • Predictive carcinogenicity: A model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network
    • Gini, G.; Lorenzini, M.; Benfenati, E.; Grasso, P.; Bruschi, M. Predictive Carcinogenicity: A Model for Aromatic Compounds, with Nitrogen-Containing Substituents, Based on Molecular Descriptors Using an Artificial Neural Network. J. Chem. Inf. Comput. Sci. 1999, 39, 1076-1080.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 1076-1080
    • Gini, G.1    Lorenzini, M.2    Benfenati, E.3    Grasso, P.4    Bruschi, M.5
  • 12
    • 0031268730 scopus 로고    scopus 로고
    • A study of structure-carcinogenic potency relationship with artificial neural networks. The using of descriptors related to geometrical and electronic structures
    • Vracko, M. A study of Structure-Carcinogenic Potency Relationship with Artificial Neural Networks. The Using of Descriptors Related to Geometrical and Electronic Structures. J. Chem. Inf. Comput. Sci. 1997, 37, 1037-1043.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 1037-1043
    • Vracko, M.1
  • 13
    • 0345561606 scopus 로고    scopus 로고
    • Study of structure-activity relationship by a counterpropagation neural network
    • Vracko, M.; Novic, M.; Zupan, J. Study of structure-activity relationship by a counterpropagation neural network. Anal. Chim. Acta 1999, 384, 319-332.
    • (1999) Anal. Chim. Acta , vol.384 , pp. 319-332
    • Vracko, M.1    Novic, M.2    Zupan, J.3
  • 14
    • 0003996547 scopus 로고    scopus 로고
    • Prepared for U.S. Environmental Protection Agency, Office of Research, Laboratory Mid-Continent Division (MED), Duluth, Minnesota, By OAO Corporation Duluth Minnesota, February
    • ECOTOX, ECOTOXicology Database System, Code List. Prepared for U.S. Environmental Protection Agency, Office of Research, Laboratory Mid-Continent Division (MED), Duluth, Minnesota, By OAO Corporation Duluth Minnesota, February 2000.
    • (2000) ECOTOX, ECOTOXicology Database System, Code List
  • 15
    • 0003996543 scopus 로고    scopus 로고
    • Prepared for U.S. Environmental Protection Agency, Office of Research, Laboratory Mid-Continent Division (MED), Duluth, Minnesota. By OAO Corporation Duluth Minnesota, February
    • ECOTOX, ECOTOXicology Database System, Data Field Definition. Prepared for U.S. Environmental Protection Agency, Office of Research, Laboratory Mid-Continent Division (MED), Duluth, Minnesota. By OAO Corporation Duluth Minnesota, February 2000.
    • (2000) ECOTOX, ECOTOXicology Database System, Data Field Definition
  • 16
    • 0003996545 scopus 로고    scopus 로고
    • Prepared for U.S. Environmental Protection Agency, Office of Research. Laboratory Mid-Continent Division (MED), Duluth, Minnesota. By OAO Corporation Duluth Minnesota, February
    • ECOTOX, ECOTOXicology Database System, User Guide. Prepared for U.S. Environmental Protection Agency, Office of Research. Laboratory Mid-Continent Division (MED), Duluth, Minnesota. By OAO Corporation Duluth Minnesota, February 2000.
    • (2000) ECOTOX, ECOTOXicology Database System, User Guide
  • 17
    • 0030981036 scopus 로고    scopus 로고
    • Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (pimephales promelas)
    • Russom, C. L.; Bradbury, S. P.; Broderius, S. J.; Hammermeister, D. E.; Drummond, S. J. Predicting modes of toxic action from chemical structure: acute toxicity in the fathead minnow (pimephales promelas). Environ. Toxicol. Chem. 1997, 16, 948-967.
    • (1997) Environ. Toxicol. Chem. , vol.16 , pp. 948-967
    • Russom, C.L.1    Bradbury, S.P.2    Broderius, S.J.3    Hammermeister, D.E.4    Drummond, S.J.5
  • 19
    • 0033474376 scopus 로고    scopus 로고
    • QSPR and QSAR models derived using large molecular descriptors spaces. A review of CODESSA applications
    • Karelson, M.; Maran, U.; Wang, Y, L.; Katritzky, A. R. QSPR and QSAR models derived using large molecular descriptors spaces. A review of CODESSA applications, Collect. Czech. Chem. C 1999, 64, 1551-1571.
    • (1999) Collect. Czech. Chem. C , vol.64 , pp. 1551-1571
    • Karelson, M.1    Maran, U.2    Wang, Y.L.3    Katritzky, A.R.4
  • 22
    • 0344236536 scopus 로고    scopus 로고
    • Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection
    • In press
    • Golbraikh, A., Trophsa A. Predictive QSAR Modeling based on Diversity Sampling of Experimental Datasets for the Training and Test Set Selection. J. Comput-Aided Mol. Design. In press.
    • J. Comput-Aided Mol. Design
    • Golbraikh, A.1    Trophsa, A.2
  • 23
    • 0000081055 scopus 로고    scopus 로고
    • Molecular dataset diversity indices and their application to comparison of chemical databases and QSAR analysis
    • Golbraikh, A. Molecular Dataset Diversity Indices and Their Application to Comparison of Chemical Databases and QSAR Analysis. J. Chem. Inf. Comput. Sci. 2000, 40, 414-425.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 414-425
    • Golbraikh, A.1
  • 24
    • 0023515080 scopus 로고
    • Counter propagation networks
    • Hecht-Neilson, R. Counter propagation Networks. Appl. Optics 1987, 26, 4979-4984.
    • (1987) Appl. Optics , vol.26 , pp. 4979-4984
    • Hecht-Neilson, R.1
  • 26
    • 0035965678 scopus 로고    scopus 로고
    • Comparison of spectrum-like representation of 3D chemical structure with other representations when used for modelling biological activity
    • Novic, M.; Vracko, M. Comparison of spectrum-like representation of 3D chemical structure with other representations when used for modelling biological activity. Chem. Intell, Lab. Sys. 2001, 59, 33-44.
    • (2001) Chem. Intell, Lab. Sys. , vol.59 , pp. 33-44
    • Novic, M.1    Vracko, M.2


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