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Volumn 44, Issue 3, 2004, Pages 831-836

Chirality codes and molecular structure

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CONFORMATIONS; FUNCTIONS; INFRARED SPECTROSCOPY; NEURAL NETWORKS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; POLARIZATION;

EID: 2942700437     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci030410h     Document Type: Article
Times cited : (35)

References (17)
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    • Ruch, E.1
  • 5
    • 0000551603 scopus 로고
    • Topological Organic Chemistry. 9. Graph Theory and Molecular Topological Indices of Stereoisomeric Organic Compounds
    • Schulz, H. B.; Schulz, E. B.; Schulz, T. P. Topological Organic Chemistry. 9. Graph Theory and Molecular Topological Indices of Stereoisomeric Organic Compounds. J. Chem. Inf. Comput. Sci. 1995, 35, 864-870.
    • (1995) J. Chem. Inf. Comput. Sci. , vol.35 , pp. 864-870
    • Schulz, H.B.1    Schulz, E.B.2    Schulz, T.P.3
  • 6
    • 0000162481 scopus 로고
    • Continuous Symmetry Measures. 4. Chirality
    • Zabrodsky, H.; Avnir, D. Continuous Symmetry Measures. 4. Chirality. J. Am. Chem. Soc. 1995, 117, 462-473.
    • (1995) J. Am. Chem. Soc. , vol.117 , pp. 462-473
    • Zabrodsky, H.1    Avnir, D.2
  • 7
    • 0000274475 scopus 로고    scopus 로고
    • Atomic Chirality, a Quantitative Measure of the Chirality of the Environment of an Atom
    • Moreau, G. Atomic Chirality, a Quantitative Measure of the Chirality of the Environment of an Atom. J. Chem. Inf. Comput. Sci. 1997, 37, 929-938.
    • (1997) J. Chem. Inf. Comput. Sci. , vol.37 , pp. 929-938
    • Moreau, G.1
  • 10
    • 0035227491 scopus 로고    scopus 로고
    • Novel Chirality Descriptors Derived from Molecular Topology
    • Golbraikh, A.; Bonchev, D.; Tropsha, A. Novel Chirality Descriptors Derived from Molecular Topology. J. Chem. Inf. Comput. Sci. 2001, 41, 147-158.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 147-158
    • Golbraikh, A.1    Bonchev, D.2    Tropsha, A.3
  • 11
    • 0037362008 scopus 로고    scopus 로고
    • Validation of DRAPER for 3D QSAR: Conformation Search and Chirality Metric
    • Wildman, S. A.; Crippen, G. M. Validation of DRAPER for 3D QSAR: Conformation Search and Chirality Metric. J. Chem. Inf. Comput. Sci. 2003, 43, 629-636.
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 629-636
    • Wildman, S.A.1    Crippen, G.M.2
  • 12
    • 0035272171 scopus 로고    scopus 로고
    • New description of molecular chirality and Its application to the prediction of the preferred enantiomer in stereoselective reactions
    • Aires-de-Sousa, J.; Gasteiger, J. New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions. J. Chem. Inf. Comput. Sci. 2001, 41, 369-375.
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 369-375
    • Aires-de-Sousa, J.1    Gasteiger, J.2
  • 13
    • 0036161725 scopus 로고    scopus 로고
    • Prediction of enantiomeric selectivity in chromatography. Application of conformation-dependent and conformation-independent descriptors of molecular chirality
    • Aires-de-Sousa, J.; Gasteiger, J. Prediction of Enantiomeric Selectivity in Chromatography. Application of Conformation-Dependent and Conformation-Independent Descriptors of Molecular Chirality. J. Mol. Graphics Model. 2002, 20, 373-388.
    • (2002) J. Mol. Graphics Model. , vol.20 , pp. 373-388
    • Aires-de-Sousa, J.1    Gasteiger, J.2
  • 14
    • 0000490166 scopus 로고
    • From Atoms and Bonds to Three-Dimensional Atomic Coordinates: Automatic Model Builders
    • Sadowski, J.; Gasteiger, J. From Atoms and Bonds to Three-Dimensional Atomic Coordinates: Automatic Model Builders. Chem. Rev. 1993, 93, 2567-2581.
    • (1993) Chem. Rev. , vol.93 , pp. 2567-2581
    • Sadowski, J.1    Gasteiger, J.2
  • 15
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    • Iterative partial equalization of orbital electronegativity - A rapid access to atomic charges
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.