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Volumn 43, Issue 4, 2003, Pages 1259-1268

A stoichiometric approach to quantitative structure-property relationships (QSPR)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL THERMODYNAMICS;

EID: 0042700260     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci0340310     Document Type: Article
Times cited : (11)

References (16)
  • 1
    • 0013149210 scopus 로고
    • Basic concepts and aims of QSAR studies
    • Coccini, T., Giannoni, L., Karcher, W., Manzo, L., Roi, R., Eds.; Commission of the European Communities: Luxembourg
    • Karcher, W. Basic concepts and aims of QSAR studies. In Quantitative Structure/Activity Relationships (QSAR) in Toxicology; Coccini, T., Giannoni, L., Karcher, W., Manzo, L., Roi, R., Eds.; Commission of the European Communities: Luxembourg, 1992; pp 5-25.
    • (1992) Quantitative Structure/Activity Relationships (QSAR) in Toxicology , pp. 5-25
    • Karcher, W.1
  • 3
    • 0030771347 scopus 로고    scopus 로고
    • QSAR and 3D QSAR in drug design part 1: Methodology
    • Kubinyi, H. QSAR and 3D QSAR in Drug Design Part 1: Methodology. Drug Discov. Today 1997, 2, 457-467. Kubinyi, H. QSAR and 3D QSAR in Drug Design Part 2: Applications and Problems. Drug Discov. Today 1997, 2, 538-546.
    • (1997) Drug Discov. Today , vol.2 , pp. 457-467
    • Kubinyi, H.1
  • 4
    • 0030828787 scopus 로고    scopus 로고
    • QSAR and 3D QSAR in drug design part 2: Applications and problems
    • Kubinyi, H. QSAR and 3D QSAR in Drug Design Part 1: Methodology. Drug Discov. Today 1997, 2, 457-467. Kubinyi, H. QSAR and 3D QSAR in Drug Design Part 2: Applications and Problems. Drug Discov. Today 1997, 2, 538-546.
    • (1997) Drug Discov. Today , vol.2 , pp. 538-546
    • Kubinyi, H.1
  • 6
    • 0033854099 scopus 로고    scopus 로고
    • A thermodynamic approach to the systematic elucidation of unique reaction routes in catalytic reactions
    • Fishtik, I.; Datta, R. A thermodynamic approach to the systematic elucidation of unique reaction routes in Catalytic Reactions. Chem. Eng. Sci. 2000, 55, 4029-4043.
    • (2000) Chem. Eng. Sci. , vol.55 , pp. 4029-4043
    • Fishtik, I.1    Datta, R.2
  • 9
    • 0037421879 scopus 로고    scopus 로고
    • Response reactions - A mathematical well-defined way to obtain accurate thermochemistry from ab initio calculations
    • Fishtik, I.; Datta, R.; Liebman, J. F. Response reactions - a mathematical well-defined way to obtain accurate thermochemistry from ab initio calculations, J. Phys. Chem. A 2003, 107, 695-705.
    • (2003) J. Phys. Chem. A , vol.107 , pp. 695-705
    • Fishtik, I.1    Datta, R.2    Liebman, J.F.3
  • 10
    • 0037417270 scopus 로고    scopus 로고
    • Group additivity methods in terms of response reactions
    • in press
    • Fishtik, I.; Datta, R.; Liebman, J. F. Group Additivity Methods in Terms of Response Reactions, J. Phys. Chem. A 2003, in press.
    • (2003) J. Phys. Chem. A
    • Fishtik, I.1    Datta, R.2    Liebman, J.F.3
  • 11
    • 0006027738 scopus 로고    scopus 로고
    • Normal boiling points of 1, ω-alkanedinitriles: The highest increment in a homologous series
    • Balaban, A. T.; Basak, C. S.; Mills, D. Normal boiling points of 1, ω-alkanedinitriles: the highest increment in a homologous series. J. Chem. Inf. Comput. Sci. 1999, 39, 769-774.
    • (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 769-774
    • Balaban, A.T.1    Basak, C.S.2    Mills, D.3
  • 14
    • 9444296174 scopus 로고
    • Highly discriminating distance-based topological index
    • Balaban, A. T. Highly discriminating distance-based topological index. Chem. Phys. Lett. 1982, 80, 399-404.
    • (1982) Chem. Phys. Lett. , vol.80 , pp. 399-404
    • Balaban, A.T.1
  • 15
    • 0000455350 scopus 로고
    • Chemical graphs. 48. Topological index J for heteroatom-containing molecules taking into account periodicities of element properties
    • Balaban, A. T. Chemical graphs. 48. Topological index J for heteroatom-containing molecules taking into account periodicities of element properties. Math. Chem. (MATCH) 1986, 21, 115-122.
    • (1986) Math. Chem. (MATCH) , vol.21 , pp. 115-122
    • Balaban, A.T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.