-
3
-
-
0032632418
-
Molecular Diversity and representativity in chemical databases
-
See, for example: Bayada, D.M.; Hamersma, H.; van Geerestein, V.J. Molecular Diversity and representativity in chemical databases. J. Chem. Inf. Comput. Sci. 1999, 39, 1-10.
-
(1999)
J. Chem. Inf. Comput. Sci.
, vol.39
, pp. 1-10
-
-
Bayada, D.M.1
Hamersma, H.2
Van Geerestein, V.J.3
-
4
-
-
0011516384
-
-
note
-
The terms "binding complexions" are used in the most general sense, referring to the total number of binding states (electronic, conformational, etc.) expressed by a given molecule.
-
-
-
-
5
-
-
0000524226
-
The first general index of molecular complexity
-
See, for example: Bertz, S.H. The First General Index of Molecular Complexity. J. Am. Chem. Soc. 1981, 103, 3599-3601. Mil'man, B.L. A Complexity Measure for Chemical Compounds. J. Struct. Chem. 1988, 29, 957-960.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 3599-3601
-
-
Bertz, S.H.1
-
6
-
-
0011416646
-
A complexity measure for chemical compounds
-
See, for example: Bertz, S.H. The First General Index of Molecular Complexity. J. Am. Chem. Soc. 1981, 103, 3599-3601. Mil'man, B.L. A Complexity Measure for Chemical Compounds. J. Struct. Chem. 1988, 29, 957-960.
-
(1988)
J. Struct. Chem.
, vol.29
, pp. 957-960
-
-
Mil'Man, B.L.1
-
9
-
-
0000228805
-
Variability of molecular descriptors in compound databases revealed by Shannon Entropy calculations
-
Godden, J.W.; Stahura, F.L.; Bajorath, J. Variability of Molecular Descriptors in Compound Databases Revealed by Shannon Entropy Calculations. J. Chem. Inf. Comput. Sci. 2000, 40, 796.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 796
-
-
Godden, J.W.1
Stahura, F.L.2
Bajorath, J.3
-
10
-
-
0034268411
-
Distinguishing between natural products and synthetic molecules by Shannon Descriptor Entropy analysis and binary QSAR calculations
-
Stahura, F.L.; Godden, J.W.; Bajorath, J. Distinguishing Between Natural Products and Synthetic Molecules by Shannon Descriptor Entropy Analysis and Binary QSAR Calculations. J. Chem. Inf. Comput. Sci. 2000, 40, 1245.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1245
-
-
Stahura, F.L.1
Godden, J.W.2
Bajorath, J.3
-
11
-
-
0035412802
-
Differential Shannon Entropy as a sensitive measure of differences in database variability of molecular descriptors
-
Godden, J.W.; Bajorath, J. Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors. J. Chem. Inf. Comput. Sci. 2000, 41, 1060.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1060
-
-
Godden, J.W.1
Bajorath, J.2
-
12
-
-
0033533953
-
Measuring molecular information
-
Schneider, T.D. Measuring Molecular Information. J. Theor. Biol. 1999, 201, 87-92.
-
(1999)
J. Theor. Biol.
, vol.201
, pp. 87-92
-
-
Schneider, T.D.1
-
13
-
-
0025970049
-
Theory of molecular machines. I: Channel capacity of molecular machines
-
Schneider, T.D. Theory of Molecular Machines. I. Channel Capacity of Molecular Machines. J. Theor. Biol. 1991, 148, 83-123. II. Energy Dissipation from Molecular Machines. J. Theor. Biol. 1991, 148, 125-137.
-
(1991)
J. Theor. Biol.
, vol.148
, pp. 83-123
-
-
Schneider, T.D.1
-
14
-
-
0025970050
-
Theory of molecular machines. II: Energy dissipation from molecular machines
-
Schneider, T.D. Theory of Molecular Machines. I. Channel Capacity of Molecular Machines. J. Theor. Biol. 1991, 148, 83-123. II. Energy Dissipation from Molecular Machines. J. Theor. Biol. 1991, 148, 125-137.
-
(1991)
J. Theor. Biol.
, vol.148
, pp. 125-137
-
-
-
15
-
-
0031583033
-
Information content of individual genetic sequences
-
Schneider, T.D. Information Content of Individual Genetic Sequences. J. Theor. Biol. 1997, 189, 427-441.
-
(1997)
J. Theor. Biol.
, vol.189
, pp. 427-441
-
-
Schneider, T.D.1
-
17
-
-
0004193807
-
-
Hey, A.J.G., Allen, R.W., Eds.; Addison-Wesley: Reading, MA
-
Feynman, R.P. Feynman Lectures on Computation; Hey, A.J.G., Allen, R.W., Eds.; Addison-Wesley: Reading, MA, 1996.
-
(1996)
Feynman Lectures on Computation
-
-
Feynman, R.P.1
-
22
-
-
0004213358
-
-
Prentice Hall: Upper Saddle River, NJ, Chapter 25
-
Brown, T.L.; LeMay, H.E., Jr.; Bursten, B.E. Chemistry, the Central Science; Prentice Hall: Upper Saddle River, NJ, 2000; Chapter 25.
-
(2000)
Chemistry, the Central Science
-
-
Brown, T.L.1
Lemay H.E., Jr.2
Bursten, B.E.3
-
23
-
-
0000666737
-
Using computation tools to analyze molecular diversity
-
Czarnik, A.W., DeWitt, S.H., Eds., American Chemical Society: Washington, DC
-
Willett, P. Using Computation Tools to Analyze Molecular Diversity. In A Practical Guide to Combinatorial Chemistry; Czarnik, A.W., DeWitt, S.H., Eds., American Chemical Society: Washington, DC, 1997.
-
(1997)
A Practical Guide to Combinatorial Chemistry
-
-
Willett, P.1
-
25
-
-
0028809768
-
Sample size determination in combinatorial chemistry
-
Zhao, P.L.; Zambias, R.; Bolognese, J.A.; Boulton, D.; Chapman, K. Sample Size Determination in Combinatorial Chemistry. Proc. Natl. Acad. Sci. U.S.A. 1995, 92, 10212.
-
(1995)
Proc. Natl. Acad. Sci. U.S.A.
, vol.92
, pp. 10212
-
-
Zhao, P.L.1
Zambias, R.2
Bolognese, J.A.3
Boulton, D.4
Chapman, K.5
-
27
-
-
0003998388
-
-
Chemical Rubber Co.: Cleveland, This resource lists data for 13 600 organic compounds: "those of wide application in teaching, industry, medicine, and research."
-
Handbook of Chemistry and Physics; Weast, R.C., Ed.; Chemical Rubber Co.: Cleveland, 1972. This resource lists data for 13 600 organic compounds: "those of wide application in teaching, industry, medicine, and research".
-
(1972)
Handbook of Chemistry and Physics
-
-
Weast, R.C.1
-
31
-
-
33748216139
-
-
See, for example: Kahr, B.; McBride, J.M. Angew. Chem., Int. Ed. Engl. 1992, 31, 1. McBride, J.M.; Bertman, S.B. Angew. Chem., Int. Ed. Engl. 1989, 28, 330. McBride, J.M. Angew. Chem., Int. Ed. Engl. 1989, 28, 377.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 1
-
-
Kahr, B.1
McBride, J.M.2
-
32
-
-
84990162477
-
-
See, for example: Kahr, B.; McBride, J.M. Angew. Chem., Int. Ed. Engl. 1992, 31, 1. McBride, J.M.; Bertman, S.B. Angew. Chem., Int. Ed. Engl. 1989, 28, 330. McBride, J.M. Angew. Chem., Int. Ed. Engl. 1989, 28, 377.
-
(1989)
Angew. Chem., Int. Ed. Engl.
, vol.28
, pp. 330
-
-
McBride, J.M.1
Bertman, S.B.2
-
33
-
-
33748216139
-
-
See, for example: Kahr, B.; McBride, J.M. Angew. Chem., Int. Ed. Engl. 1992, 31, 1. McBride, J.M.; Bertman, S.B. Angew. Chem., Int. Ed. Engl. 1989, 28, 330. McBride, J.M. Angew. Chem., Int. Ed. Engl. 1989, 28, 377.
-
(1989)
Angew. Chem., Int. Ed. Engl.
, vol.28
, pp. 377
-
-
McBride, J.M.1
|