메뉴 건너뛰기




Volumn 5676 LNBI, Issue , 2009, Pages 121-132

Comparative study of classification algorithms using molecular descriptors in toxicological databases

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL EVALUATION; CHEMICAL STRUCTURE; CHEMICAL SYNTHESIS; CLASSIFICATION ALGORITHM; COMPARATIVE STUDIES; DESCRIPTORS; IN-VIVO; MACHINE LEARNING ALGORITHMS; MOLECULAR DESCRIPTORS; PHARMACEUTICAL COMPANY; SIMPLE MODEL; SMALL ORGANIC MOLECULES; TARGET RECEPTOR; TOXIC EFFECT;

EID: 69949180023     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: 10.1007/978-3-642-03223-3_11     Document Type: Conference Paper
Times cited : (7)

References (27)
  • 2
    • 80052945190 scopus 로고    scopus 로고
    • Accelerating the drug design process through parallel inductive logic programming data mining
    • International IEEE Computer Society, Los Alamitos
    • Graham, J., Page, C., Kamal, A.: Accelerating the drug design process through parallel inductive logic programming data mining. In: Computational Systems Bioinformatics Conference, p. 400. International IEEE Computer Society, Los Alamitos (2003)
    • (2003) Computational Systems Bioinformatics Conference , pp. 400
    • Graham, J.1    Page, C.2    Kamal, A.3
  • 3
    • 84860389751 scopus 로고    scopus 로고
    • Barrett, S.J., Langdon, W.B.: Advances in the Application of Machine Learning Techniques in Drug Discovery, Design and Development. In: Tiwari, A., Knowles, J., Avineri, E., Dahal, K., Roy, R. (eds.) Applications of Soft Computing: Recent Trends. Advances in Soft Computing, pp. 99-110. Springer, Heidelberg (2006)
    • Barrett, S.J., Langdon, W.B.: Advances in the Application of Machine Learning Techniques in Drug Discovery, Design and Development. In: Tiwari, A., Knowles, J., Avineri, E., Dahal, K., Roy, R. (eds.) Applications of Soft Computing: Recent Trends. Advances in Soft Computing, pp. 99-110. Springer, Heidelberg (2006)
  • 4
    • 34249846647 scopus 로고    scopus 로고
    • Artificial intelligence approaches for rational drug design and discovery
    • Duch, W., Swaminathan, K., Meller, J.: Artificial intelligence approaches for rational drug design and discovery. Current Pharmaceutical Design 13, 1497-1508 (2007)
    • (2007) Current Pharmaceutical Design , vol.13 , pp. 1497-1508
    • Duch, W.1    Swaminathan, K.2    Meller, J.3
  • 5
    • 0037364162 scopus 로고    scopus 로고
    • Admet in silico modelling: Towards prediction paradise?
    • van de Waterbeemd, H., Gifford, E.: Admet in silico modelling: towards prediction paradise? Nat. Rev. Drug. Discov. 2(3), 192-204 (2003)
    • (2003) Nat. Rev. Drug. Discov , vol.2 , Issue.3 , pp. 192-204
    • van de Waterbeemd, H.1    Gifford, E.2
  • 7
    • 34447521097 scopus 로고
    • Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients
    • Hansch, C., Maloney, P., Fujita, T., Muir, R.: Correlation of biological activity of phenoxyacetic acids with hammett substituent constants and partition coefficients. Nature 194, 178-180 (1962)
    • (1962) Nature , vol.194 , pp. 178-180
    • Hansch, C.1    Maloney, P.2    Fujita, T.3    Muir, R.4
  • 8
    • 0041475858 scopus 로고    scopus 로고
    • A multiple in silico program approach for the prediction of mutagenicity from chemical structure. Mutation Research/Genetic Toxicology and Environmental
    • White, A., Mueller, R., Gallavan, R., Aaron, S., Wilson, A.: A multiple in silico program approach for the prediction of mutagenicity from chemical structure. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 539, 77-89 (2003)
    • (2003) Mutagenesis , vol.539 , pp. 77-89
    • White, A.1    Mueller, R.2    Gallavan, R.3    Aaron, S.4    Wilson, A.5
  • 9
    • 33750245442 scopus 로고    scopus 로고
    • Future of toxicology-predictive toxicology: An expanded view of "chemical toxicity
    • Richard, A.: Future of toxicology-predictive toxicology: An expanded view of "chemical toxicity". Chem. Res. Toxicol. 19(10), 1257-1262 (2006)
    • (2006) Chem. Res. Toxicol , vol.19 , Issue.10 , pp. 1257-1262
    • Richard, A.1
  • 10
    • 34250876925 scopus 로고    scopus 로고
    • A novel logic-based approach for quantitative toxicology prediction
    • Amini, A., Muggleton, S., Lodhi, H., Sternberg, M.: A novel logic-based approach for quantitative toxicology prediction. J. Chem. Inf. Model. 47(3), 998-1006 (2007)
    • (2007) J. Chem. Inf. Model , vol.47 , Issue.3 , pp. 998-1006
    • Amini, A.1    Muggleton, S.2    Lodhi, H.3    Sternberg, M.4
  • 12
    • 84889611652 scopus 로고    scopus 로고
    • Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals
    • Wiley-Interscience, Hoboken
    • Ekins, S.: Computational Toxicology: Risk Assessment for Pharmaceutical and Environmental Chemicals. Wiley Series on Technologies for the Pharmaceutical Industry. Wiley-Interscience, Hoboken (2007)
    • (2007) Wiley Series on Technologies for the Pharmaceutical Industry
    • Ekins, S.1
  • 13
    • 12144257810 scopus 로고    scopus 로고
    • Derivation and validation of toxicophores for mutagenicity prediction
    • Kazius, J., Mcguire, R., Bursi, R.: Derivation and validation of toxicophores for mutagenicity prediction. J. Med. Chem. 48(1), 312-320 (2005)
    • (2005) J. Med. Chem , vol.48 , Issue.1 , pp. 312-320
    • Kazius, J.1    Mcguire, R.2    Bursi, R.3
  • 14
    • 0030981036 scopus 로고    scopus 로고
    • Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (pimephales promelas)
    • Russom, C., Bradbury, S., Broderius, S., Hammermeister, D., Drummond, R.: Predicting modes of toxic action from chemical structure: Acute toxicity in the fathead minnow (pimephales promelas). Environmental toxicology and chemistry 16(5), 948-967 (1997)
    • (1997) Environmental toxicology and chemistry , vol.16 , Issue.5 , pp. 948-967
    • Russom, C.1    Bradbury, S.2    Broderius, S.3    Hammermeister, D.4    Drummond, R.5
  • 16
    • 0035679442 scopus 로고    scopus 로고
    • Compendium of chemical carcinogens by target organ: Results of chronic bioassays in rats, mice, hamsters, dogs, and monkeys
    • Gold, L., Manley, N., Slone, T., Ward, J.: Compendium of chemical carcinogens by target organ: Results of chronic bioassays in rats, mice, hamsters, dogs, and monkeys. Toxicologic Pathology 29(6), 639-652 (2001)
    • (2001) Toxicologic Pathology , vol.29 , Issue.6 , pp. 639-652
    • Gold, L.1    Manley, N.2    Slone, T.3    Ward, J.4
  • 18
    • 0036179149 scopus 로고    scopus 로고
    • Use of mechanismbased structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection by-products
    • Woo, Y., Lai, D., McLain, J., Manibusan, M., Dellarco, V.: Use of mechanismbased structure-activity relationships analysis in carcinogenic potential ranking for drinking water disinfection by-products. Environ. Health Perspect (110), 75-87 (2002)
    • (2002) Environ. Health Perspect , vol.110 , pp. 75-87
    • Woo, Y.1    Lai, D.2    McLain, J.3    Manibusan, M.4    Dellarco, V.5
  • 22
    • 0034221206 scopus 로고    scopus 로고
    • Symbolic, neural, and bayesian machine learning models for predicting carcinogenicity of chemical compounds
    • Bahler, D., Stone, B., Wellington, C., Bristol, D.: Symbolic, neural, and bayesian machine learning models for predicting carcinogenicity of chemical compounds. J. Chemical Information and Computer Sciences 8, 906-914 (2000)
    • (2000) J. Chemical Information and Computer Sciences , vol.8 , pp. 906-914
    • Bahler, D.1    Stone, B.2    Wellington, C.3    Bristol, D.4
  • 23
    • 23644446516 scopus 로고    scopus 로고
    • Aquatic toxicity prediction for polar and nonpolar narcotic pollutants with support vector machines
    • Ivanciuc, O.: Aquatic toxicity prediction for polar and nonpolar narcotic pollutants with support vector machines. Internet Electronic Journal of Molecular Design (2), 195-208 (2003)
    • (2003) Internet Electronic Journal of Molecular Design , pp. 195-208
    • Ivanciuc, O.1
  • 24
    • 59149091775 scopus 로고    scopus 로고
    • Weka machine learning for predicting the phospholipidosis inducing potential
    • Ivanciuc, O.: Weka machine learning for predicting the phospholipidosis inducing potential. Current Topics in Medicinal Chemistry (8) (2008)
    • (2008) Current Topics in Medicinal Chemistry , vol.8
    • Ivanciuc, O.1
  • 25
    • 34748889655 scopus 로고    scopus 로고
    • Machine learning technique approaches in drug discovery, design and development
    • Pugazhenthi, D., Rajagopalan, S.: Machine learning technique approaches in drug discovery, design and development. Information Technology Journal 5(6), 718-724 (2007)
    • (2007) Information Technology Journal , vol.5 , Issue.6 , pp. 718-724
    • Pugazhenthi, D.1    Rajagopalan, S.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.