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Volumn 108, Issue 11, 2000, Pages 1029-1033

Data quality in predictive toxicology: Identification of chemical structures and calculation of chemical properties

Author keywords

Carcinogenicity; Knowledge discovery; Machine learning; Predictive toxicology; Quality assurance; Structure activity relationships

Indexed keywords

CHEMICAL AGENT; HYDROGEN;

EID: 0033674947     PISSN: 00916765     EISSN: None     Source Type: Journal    
DOI: 10.1289/ehp.001081029     Document Type: Article
Times cited : (24)

References (43)
  • 1
    • 0027406601 scopus 로고
    • The influence of chemical structure on the extent and sites of carcinogenesis for 522 rodent carcinogens and 55 different human carcinogen exposures
    • (1993) Mutat Res , vol.286 , pp. 3-74
    • Ashby, J.1    Paton, D.2
  • 3
    • 0028157137 scopus 로고
    • Approaches to SAR in carcinogenesis and mutagenesis. Prediction of carcinogenicity/mutagenicity using MULTI-CASE
    • (1994) Mutat Res , vol.305 , pp. 33-46
    • Klopman, G.1    Rosenkranz, H.S.2
  • 7
    • 0006906282 scopus 로고    scopus 로고
    • Mining for causes of cancer: Machine learning experiments at various levels of detail
    • Proceedings of the Third International Conference on Knowledge Discovery and Data Mining. (KDD-97). Menlo Park, CA:AAAI Press.
    • (1997)
    • Kramer, S.1    Pfahringer, B.2    Helma, C.3
  • 8
    • 84880684128 scopus 로고    scopus 로고
    • An assessment of submissions made to the predictive toxicology evaluation challenge
    • In Proceedings of the Sixteenth International Joint Conference on Artificial Intelligence. (IJCAI-99). San Francisco, CA:Morgan Kaufmann
    • (1999) , pp. 270-275
    • Srinivasan, A.1    King, R.D.2    Bristol, D.W.3
  • 11
    • 0006946453 scopus 로고    scopus 로고
    • Handbook of Carcinogenic Potency and Genotoxicity Databases. Cleveland, OH:CRC Press.
    • (1997)
    • Gold, L.S.1    Zeiger, E.2
  • 12
    • 0001903876 scopus 로고
    • Compendium of abstracts from long-term cancer studies reported by the National Toxicology Program of the National Institute of Environmental Health Sciences from 1976 to 1992
    • eds.
    • (1993) Environ Health Perspect , vol.101 , Issue.SUPPL. 1 , pp. 1-281
    • Selkirk, J.K.1    Soward, S.M.2
  • 13
    • 85037805548 scopus 로고    scopus 로고
    • Results from NTP studies. Available: [cited 28 January 2000].
  • 14
    • 85037794782 scopus 로고    scopus 로고
    • CPDB Homepage.
  • 15
    • 85037797604 scopus 로고    scopus 로고
    • [updated 18 May 2000]
  • 16
    • 85037788103 scopus 로고    scopus 로고
    • Chemical errors found on WWW sites. [cited 28 January 2000]
  • 17
    • 85037804405 scopus 로고    scopus 로고
    • Check Digit Verification of CAS Registry Numbers. [cited 28 January 2000]
  • 18
    • 85037787471 scopus 로고    scopus 로고
    • ChemFinder. [cited 28 January 2000]
  • 19
    • 85037791929 scopus 로고    scopus 로고
    • ChemID. [cited 28 January 2000]
  • 20
    • 85037791516 scopus 로고    scopus 로고
    • Beilstein Database. [cited 28 January 2000]
  • 21
    • 85037788007 scopus 로고    scopus 로고
    • ChemIDplus Chemical Search Input Page. [cited 28 January 2000]
  • 22
    • 85037784582 scopus 로고    scopus 로고
    • Search Chemical Structures from NTP TR's. [cited 28 January 2000]
  • 23
    • 85037797660 scopus 로고    scopus 로고
    • CTfile Formats. [cited 28 January 2000]
  • 24
    • 85037786040 scopus 로고    scopus 로고
    • Smiles Strings for NCI structures. [cited 20 January 1999]
  • 25
    • 85037798749 scopus 로고    scopus 로고
    • SMILES Home Page. [cited 28 January 2000]
  • 26
    • 85037807509 scopus 로고    scopus 로고
    • ChemFinder.Com Database and Internet Searching. [cited 28 January 2000].
  • 28
    • 85037804057 scopus 로고    scopus 로고
    • Babel - A Molecular Structure Information Interchange Hub. [cited 28 January 2000].
  • 29
    • 85037801244 scopus 로고    scopus 로고
    • CORINA. Fast and Efficient Generation of High-Quality 3D Molecular Models. [cited 28 January 2000].
  • 30
    • 85037797023 scopus 로고    scopus 로고
    • MOPAC 7. [cited 28 January 2000].
  • 32
    • 85037791694 scopus 로고    scopus 로고
    • SRC Logkow Program. [cited 28 January 2000].
  • 33
    • 85037798240 scopus 로고    scopus 로고
    • TSAR. [cited 28 January 2000].
  • 34
    • 85037801533 scopus 로고    scopus 로고
    • CACTVS System Homepate. [cited 28 January 2000].
  • 35
    • 85037792237 scopus 로고    scopus 로고
    • DEPICT. [cited 28 January 2000].
  • 38
  • 39
    • 0007415309 scopus 로고    scopus 로고
    • Efficiency/representational issues in toxicological knowledge discovery
    • Predictive Toxicology of Chemicals: Experiences and Impact of AI Tools. Menlo Park, CA: AAAI Press.
    • (1999) , pp. 86-89
    • Pfahringer, B.1    Gottmann, E.2    Helma, C.3    Kramer, S.4
  • 43
    • 0002267049 scopus 로고
    • Empirical methods for the calculation of physicochemical data of organic compounds
    • Physical Property Prediction in Organic Chemistry. Heidelberg:Springer Verlag.
    • (1988) , pp. 119-138
    • Gasteiger, J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.