-
1
-
-
0002752648
-
Algebraic aspects of the chirality phenomenon in chemistry
-
Ruch, E. Algebraic Aspects of the Chirality Phenomenon in Chemistry. Acc. Chem. Res. 1972, 5, 49-56.
-
(1972)
Acc. Chem. Res.
, vol.5
, pp. 49-56
-
-
Ruch, E.1
-
4
-
-
33748234863
-
On Quantifying Chirality
-
Buda, A. B.; Heide, T.; Mislow, K. On Quantifying Chirality. Angew. Chem., Int. Ed. Engl. 1992, 31, 989-1007.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 989-1007
-
-
Buda, A.B.1
Heide, T.2
Mislow, K.3
-
5
-
-
0000551603
-
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
-
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
-
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
-
8
-
-
0032008459
-
Prediction of Properties of Chiral Com pounds by Molecular Topology
-
Julián-Ortiz, J. V.; Alapont, C. G.; Ríos-Santamarina, I.; García-Doménech, R.; Gálvez, J. Prediction of Properties of Chiral Com pounds by Molecular Topology. J. Mol. Graphics Model. 1998, 16, 14-18.
-
(1998)
J. Mol. Graphics Model.
, vol.16
, pp. 14-18
-
-
Julián-Ortiz, J.V.1
Alapont, C.G.2
Ríos-Santamarina, I.3
García-Doménech, R.4
Gálvez, J.5
-
9
-
-
0034609832
-
Deriving a Quantitative Chirality Measure from Molecular Similarity Indices
-
Benigni, R.; Cotta-Ramusino, M.; Gallo, G.; Giorgi, F.; Guliani, A.; Van, M. R. Deriving a Quantitative Chirality Measure from Molecular Similarity Indices. J. Med. Chem. 2000, 43, 3699-3703.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 3699-3703
-
-
Benigni, R.1
Cotta-Ramusino, M.2
Gallo, G.3
Giorgi, F.4
Guliani, A.5
Van, M.R.6
-
10
-
-
0035227491
-
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
-
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
-
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
-
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
-
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
-
-
31444452744
-
Automatic generation of 3D-atomic coordinates for organic molecules
-
Gasteiger, J.; Rudolph, C.; Sadowski, J. Automatic Generation of 3D-Atomic Coordinates for Organic Molecules. Tetrahedron Comput. Methodology 1992, 3, 537-547.
-
(1992)
Tetrahedron Comput. Methodology
, vol.3
, pp. 537-547
-
-
Gasteiger, J.1
Rudolph, C.2
Sadowski, J.3
-
16
-
-
49149147973
-
Iterative partial equalization of orbital electronegativity - A rapid access to atomic charges
-
Gasteiger, J.; Marsili, M. Iterative Partial Equalization of Orbital Electronegativity - A Rapid Access to Atomic Charges. Tetrahedron 1980, 36, 3219-3228.
-
(1980)
Tetrahedron
, vol.36
, pp. 3219-3228
-
-
Gasteiger, J.1
Marsili, M.2
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