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Volumn 2, Issue 2, 2007, Pages 180-182

Asymmetry of chemical similarity

Author keywords

Asymmetry; Chemical similarity; Cheminformatics; Tversky coefficients; Virtual screening

Indexed keywords

ENZYME INHIBITOR; ION CHANNEL; PHOSPHATASE; PHOSPHOTRANSFERASE;

EID: 39449134340     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200600161     Document Type: Article
Times cited : (21)

References (20)
  • 5
    • 54549098523 scopus 로고    scopus 로고
    • J. Bradshaw, Introduction to Tversky Similarity Measure, 11th Daylight user group meeting, can be found under http://www.daylight.-com/ meetings/mug97/Bradshaw/MUG97/tv_tversky.html, 1997;
    • a) J. Bradshaw, "Introduction to Tversky Similarity Measure", 11th Daylight user group meeting, can be found under http://www.daylight.-com/ meetings/mug97/Bradshaw/MUG97/tv_tversky.html, 1997;
  • 8
    • 54549118544 scopus 로고    scopus 로고
    • Asymmetric Clustering of Chemical Datasets: An Investigation
    • Boston, August 18-22
    • d) J. D. MacCuish, N. E. MacCuish, "Asymmetric Clustering of Chemical Datasets: An Investigation", 224th ACS National Meeting, Boston, August 18-22, 2002.
    • (2002) 224th ACS National Meeting
    • MacCuish, J.D.1    MacCuish, N.E.2
  • 9
    • 54549111716 scopus 로고    scopus 로고
    • MACCS II Manual, MDL Information Systems, Inc. San Leandro, CA USA
    • MACCS II Manual, MDL Information Systems, Inc. San Leandro, CA (USA).
  • 10
    • 54549126241 scopus 로고    scopus 로고
    • Daylight Theory Manual, Daylight Information Systems, Inc. Santa Fe, NM USA
    • Daylight Theory Manual, Daylight Information Systems, Inc. Santa Fe, NM (USA).
  • 13
    • 54549093087 scopus 로고    scopus 로고
    • Minimality is described as s(a,b) ≥ s(a,a) = 0.
    • Minimality is described as s(a,b) ≥ s(a,a) = 0.
  • 14
    • 54549103865 scopus 로고    scopus 로고
    • Symmetry is described as s(a,b) = s(b,a).
    • Symmetry is described as s(a,b) = s(b,a).
  • 15
    • 54549093086 scopus 로고    scopus 로고
    • Triangle inequality is described as s(a,b) + s(b,c) ≥ s(a,c).
    • Triangle inequality is described as s(a,b) + s(b,c) ≥ s(a,c).
  • 16
    • 54549101489 scopus 로고    scopus 로고
    • The NCI anti-AIDS database contains the structure-activity data for the compounds screened by the National Cancer Institute AIDS antiviral screening program. It can be downloaded from the public web site
    • The NCI anti-AIDS database contains the structure-activity data for the compounds screened by the National Cancer Institute AIDS antiviral screening program. It can be downloaded from the public web site: http://dtp.nci.nih.gov/ docs/aids/aids_data.html.
  • 17
    • 54549083734 scopus 로고    scopus 로고
    • The J&J corporate database contains all the chemical structures registered at Johnson & Johnson Pharmaceutical Research and Development along with their biological data. It is a private database
    • The J&J corporate database contains all the chemical structures registered at Johnson & Johnson Pharmaceutical Research and Development along with their biological data. It is a private database.
  • 19
    • 54549123956 scopus 로고    scopus 로고
    • MOE, Chemical Computing Group, Inc. Montreal Canada
    • MOE, Chemical Computing Group, Inc. Montreal (Canada).
  • 20
    • 54549097458 scopus 로고    scopus 로고
    • Daylight toolkit, Daylight Information Systems, Inc. Santa Fe, NM USA
    • Daylight toolkit, Daylight Information Systems, Inc. Santa Fe, NM (USA).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.