Chirality Codes and Molecular Structure
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Johann Gasteiger | Ivan Gutman | João Aires-de-Sousa | Dusica Vidovic | I. Gutman | J. Aires-de-Sousa | J. Gasteiger | D. Vidović
[1] J. Gálvez,et al. Prediction of properties of chiral compounds by molecular topology. , 1998, Journal of molecular graphics & modelling.
[2] J. Gasteiger,et al. FROM ATOMS AND BONDS TO THREE-DIMENSIONAL ATOMIC COORDINATES : AUTOMATIC MODEL BUILDERS , 1993 .
[3] Johann Gasteiger,et al. New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions , 2001, J. Chem. Inf. Comput. Sci..
[4] Alexander Golbraikh,et al. Novel Chirality Descriptors Derived from Molecular Topology , 2001, J. Chem. Inf. Comput. Sci..
[5] Harry P. Schultz,et al. Topological Organic Chemistry, 9. Graph Theory and Molecular Topological Indices of Stereoisomeric Organic Compounds , 1995, J. Chem. Inf. Comput. Sci..
[6] A. Giuliani,et al. Deriving a quantitative chirality measure from molecular similarity indices. , 2000, Journal of medicinal chemistry.
[7] D. Avnir,et al. Continuous Symmetry Measures. 4. Chirality , 1995 .
[8] Johann Gasteiger,et al. Prediction of enantiomeric selectivity in chromatography. Application of conformation-dependent and conformation-independent descriptors of molecular chirality. , 2002, Journal of molecular graphics & modelling.
[9] J. Gasteiger,et al. Automatic generation of 3D-atomic coordinates for organic molecules , 1990 .
[10] J. Gasteiger,et al. ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY – A RAPID ACCESS TO ATOMIC CHARGES , 1980 .
[11] Gordon M. Crippen,et al. Validation of DAPPER for 3D QSAR: Conformational Search and Chirality Metric , 2003, J. Chem. Inf. Comput. Sci..
[12] Gilles Moreau,et al. Atomic Chirality, a Quantitative Measure of the Chirality of the Environment of an Atom , 1997, J. Chem. Inf. Comput. Sci..
[13] Thomas Auf der Heyde,et al. On Quantifying Chirality , 1992 .
[14] E. Ruch,et al. Algebraic aspects of the chirality phenomenon in chemistry , 1972 .