메뉴 건너뛰기




Volumn 33, Issue 12, 2014, Pages 2688-2693

Comparative study of biodegradability prediction of chemicals using decision trees, functional trees, and logistic regression

Author keywords

Biodegradability; Decision trees; Functional trees; In silico models; Logistic regression

Indexed keywords

BIODEGRADABILITY; BIODEGRADATION; DECISION TREES; INDICATORS (CHEMICAL); LOGISTIC REGRESSION; SOFTWARE TESTING;

EID: 84929129535     PISSN: 07307268     EISSN: 15528618     Source Type: Journal    
DOI: 10.1002/etc.2746     Document Type: Article
Times cited : (11)

References (35)
  • 1
    • 78649761766 scopus 로고    scopus 로고
    • Review of QSAR models for ready biodegradation
    • Joint Research Centre, Ispra, Italy.
    • Pavan M, Worth AP. 2006. Review of QSAR models for ready biodegradation. EUR 22355 EN. European Commission, Joint Research Centre, Ispra, Italy.
    • (2006) EUR 22355 EN
    • Pavan, M.1    Worth, A.P.2
  • 2
    • 84859153143 scopus 로고    scopus 로고
    • Modeling and predicting aquatic aerobic biodegradation-A review from a user's perspective
    • Rücker C, Kümmerer K. 2012. Modeling and predicting aquatic aerobic biodegradation-A review from a user's perspective. Green Chem 14:875-887.
    • (2012) Green Chem , vol.14 , pp. 875-887
    • Rücker, C.1    Kümmerer, K.2
  • 3
    • 84939234586 scopus 로고    scopus 로고
    • Characterisation of the REACH pre-registered substances list by chemical structure and physicochemical properties. EUR 24138 EN. European Commission. Brussels, Belgium.
    • Daginnus K. 2010. Characterisation of the REACH pre-registered substances list by chemical structure and physicochemical properties. EUR 24138 EN. European Commission. Brussels, Belgium.
    • (2010)
    • Daginnus, K.1
  • 5
    • 0001915172 scopus 로고
    • Biodegradation data evaluation for structure/biodegradation relations
    • Howard PH, Hueber AE, Boethling RS. 1987. Biodegradation data evaluation for structure/biodegradation relations. Environ Toxicol Chem 6:1-10.
    • (1987) Environ Toxicol Chem , vol.6 , pp. 1-10
    • Howard, P.H.1    Hueber, A.E.2    Boethling, R.S.3
  • 8
    • 0033797060 scopus 로고    scopus 로고
    • Predicting ready biodegradability in the Japanese Ministry of International Trade and Industry Test
    • Tunkel J, Howard PH, Boethling RS, Stiteler W, Loonen H. 2000. Predicting ready biodegradability in the Japanese Ministry of International Trade and Industry Test. Environ Toxicol Chem 19:2478-2485.
    • (2000) Environ Toxicol Chem , vol.19 , pp. 2478-2485
    • Tunkel, J.1    Howard, P.H.2    Boethling, R.S.3    Stiteler, W.4    Loonen, H.5
  • 11
    • 84876578435 scopus 로고    scopus 로고
    • Quantitative structure-activity relationship models for ready biodegradability of chemicals
    • Mansouri K, Ringsted T, Ballabio D, Todeschini R, Consonni V. 2013. Quantitative structure-activity relationship models for ready biodegradability of chemicals. J Chem Inform Model 53:867-878.
    • (2013) J Chem Inform Model , vol.53 , pp. 867-878
    • Mansouri, K.1    Ringsted, T.2    Ballabio, D.3    Todeschini, R.4    Consonni, V.5
  • 12
    • 77955092273 scopus 로고    scopus 로고
    • Association rule mining-based dissolved gas analysis for fault diagnosis of power transformers
    • Yang Z, Tang WH, Shintemirov A, Wu QH. 2009. Association rule mining-based dissolved gas analysis for fault diagnosis of power transformers. Systems Man Cybernetics C Applic Rev 39:597-610.
    • (2009) Systems Man Cybernetics C Applic Rev , vol.39 , pp. 597-610
    • Yang, Z.1    Tang, W.H.2    Shintemirov, A.3    Wu, Q.H.4
  • 13
    • 28544439958 scopus 로고    scopus 로고
    • An effective refinement strategy for KNN text classifier
    • Tan SB. 2006. An effective refinement strategy for KNN text classifier. Expert Systems Applic 30:290-298.
    • (2006) Expert Systems Applic , vol.30 , pp. 290-298
    • Tan, S.B.1
  • 14
    • 34447292534 scopus 로고    scopus 로고
    • Comprehensible credit scoring models using rule extraction from support vector machines
    • Martens D, Baesens B, Van Gestel T, Vanthienen J. 2007. Comprehensible credit scoring models using rule extraction from support vector machines. Eur J Operat Res 183:1466-1476.
    • (2007) Eur J Operat Res , vol.183 , pp. 1466-1476
    • Martens, D.1    Baesens, B.2    Van Gestel, T.3    Vanthienen, J.4
  • 16
    • 3543051838 scopus 로고    scopus 로고
    • Functional trees
    • Gama J. 2004. Functional trees. Mach Learn 55:219-250.
    • (2004) Mach Learn , vol.55 , pp. 219-250
    • Gama, J.1
  • 19
    • 33847040540 scopus 로고    scopus 로고
    • Biodegradation and Bioconcentration Database of the Existing Chemical Substances
    • cited 2011 October 31 Available from
    • National Institute of Technology and Evaluation. 2006. Biodegradation and Bioconcentration Database of the Existing Chemical Substances. [cited 2011 October 31]. Available from: http://www.safe.nite.go.jp/english/db.html.
    • (2006)
  • 20
    • 4444280967 scopus 로고    scopus 로고
    • Syracuse Research Corporation's chemical information databases: Extraction and compilation of data related to environmental fate and exposure
    • Rosenberg SA, Hueber AE, Aronson D, Gouchie S, Howard PH, Meylan W, Tunkel JL. 2004. Syracuse Research Corporation's chemical information databases: Extraction and compilation of data related to environmental fate and exposure. Sci Tech Libr 23:73-87.
    • (2004) Sci Tech Libr , vol.23 , pp. 73-87
    • Rosenberg, S.A.1    Hueber, A.E.2    Aronson, D.3    Gouchie, S.4    Howard, P.H.5    Meylan, W.6    Tunkel, J.L.7
  • 24
    • 33744584654 scopus 로고
    • Induction of decision trees
    • Quinlan JR. 1986. Induction of decision trees. Mach Learn 1:81-106.
    • (1986) Mach Learn , vol.1 , pp. 81-106
    • Quinlan, J.R.1
  • 26
    • 8344272925 scopus 로고    scopus 로고
    • The role of the European Centre for the Validation of Alternative Methods (ECVAM) in the validation of (Q)SARs
    • Worth AP, Hartung H, van Leeuwen CJ. 2004. The role of the European Centre for the Validation of Alternative Methods (ECVAM) in the validation of (Q)SARs. SAR QSAR Environ Res 15:345-358.
    • (2004) SAR QSAR Environ Res , vol.15 , pp. 345-358
    • Worth, A.P.1    Hartung, H.2    van Leeuwen, C.J.3
  • 27
    • 45749129400 scopus 로고    scopus 로고
    • Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity
    • Zhu H, Rusyn I, Richard A, Tropsha A. 2008. Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity. Environ Health Persp 116:506-513.
    • (2008) Environ Health Persp , vol.116 , pp. 506-513
    • Zhu, H.1    Rusyn, I.2    Richard, A.3    Tropsha, A.4
  • 28
    • 79960574730 scopus 로고    scopus 로고
    • version 0.04 (freeware). Ideaconsult Ltd, Bulgaria.
    • Jeliazkova N, Jaworska J. 2006. Ambit Discovery, version 0.04 (freeware). Ideaconsult Ltd, Bulgaria.
    • (2006) Ambit Discovery
    • Jeliazkova, N.1    Jaworska, J.2
  • 29
    • 0033931867 scopus 로고    scopus 로고
    • Assessing the accuracy of prediction algorithms for classification: An overview
    • Baldi P, Brunak S, Chauvin Y, Andersen CA, Nielsen H. 2000. Assessing the accuracy of prediction algorithms for classification: An overview. Bioinformatics 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
  • 30
    • 1942533487 scopus 로고    scopus 로고
    • Evaluation of decision trees: A multi-criteria approach
    • Osei-Bryson KM. 2004. Evaluation of decision trees: A multi-criteria approach. Comput Oper Res 31:1933-1945.
    • (2004) Comput Oper Res , vol.31 , pp. 1933-1945
    • Osei-Bryson, K.M.1
  • 31
    • 0030479252 scopus 로고    scopus 로고
    • Applications of experts' judgement to derive structure biodegradation relationships
    • Gamberger D, Horvatić D, Sekušak S, Sabljić A. 1996. Applications of experts' judgement to derive structure biodegradation relationships. Environ Sci Pollut Res 3:224-228.
    • (1996) Environ Sci Pollut Res , vol.3 , pp. 224-228
    • Gamberger, D.1    Horvatić, D.2    Sekušak, S.3    Sabljić, A.4
  • 32
    • 0031839926 scopus 로고    scopus 로고
    • Estimating environmental pollution by xenobiotic chemicals using QSAR(QSBR) models based on artificial intelligence
    • Kompare B. 1998. Estimating environmental pollution by xenobiotic chemicals using QSAR(QSBR) models based on artificial intelligence. Water Sci Technol 37:9-18.
    • (1998) Water Sci Technol , vol.37 , pp. 9-18
    • Kompare, B.1
  • 34
    • 0033103838 scopus 로고    scopus 로고
    • Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test
    • Rorije E, Loonen H, Müller M, Klopman G, Peijnenburg WJGM. 1999. Evaluation and application of models for the prediction of ready biodegradability in the MITI-I test. Chemosphere 38:1409-1417.
    • (1999) Chemosphere , vol.38 , pp. 1409-1417
    • Rorije, E.1    Loonen, H.2    Müller, M.3    Klopman, G.4    Peijnenburg, W.J.G.M.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.