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 REFERENCES
Note: OCR errors may be found in this Reference List extracted from the full text article. ACM has opted to expose the complete List rather than only correct and linked references.
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Fiftieth Anniversary of the Wiener Index, Discrete Applied Mathematics Special Issue, Vol. 80, no. 1 Gutman, I., Klavzar, S. and Mohar, B. eds., 122 pages, 1997
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2
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Wiener, H., Structural determination of paraffin boiling points, J. Amer. Chem. Soc., 69 (1947) 17-20
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3
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Sheridan, R., P. and Kearsley, S., K., Using a Genetic Algorithm To Suggest Combinatorial Libraries, J. Chem. Inf. Comput. Sci., 35 (1995) 310-320
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4
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Venkatasubramanian, V., Chan, K. and Caruthers, J. M., Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm, J. Chem. Inf. Comput. Sci., 35 (1995) 188-195
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5
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Gordon, Douglas J., Bellott, Emile M., and Tenenbaum, Boris, Using a Genetic Algorithm to Select an Optimum Combinatorial Library Using a Subset of Available Input Materials, Exploiting Molecular Diversity: Refining Small Molecule Libraries, La JolIa, California, February 1-5, 1999.
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6
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Singh, Jasbir et. al., Application of Genetic Algorithms to Combinatorial Synthesis: A Computatorial Synthesis: A Computational Approach to Lead Identification and Lead Optimization, J. Am Chem. Soc., Vol. 118, (1996), 1669-1676
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7
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Gallop, Mark A., Barrett, Ronald W., Dover, William J., Fodor, Stephen P. A., Gordon, Eric M., Applications of Combinatorial Technologies to Drug Discovery. Background and Peptide Combinatorial Libraries, Journal of Medicinal Chemistry, Vol. 37, No. 9 (1994) 1233-1251
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8
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Zheng, Weifan, Cho, Sung Jin, and Tropsha, Alexander, Rational Combinatorial Library Design. 1. Focus- 2D: A new Approach to the Design of Targeted Combinatorial Chemical Libraries, J. Chem. Inf. Comput. Sci., Vol. 38, (1998) 251-258
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9
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Zheng, Weifan, Cho, Sung Jin, and Tropsha, Alexander, Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries using Chemical Similarity Probe and the Inverse SAR Approaches, J. Chem. Inf. Comput. Sci., Vol. 38, (1998) 259-268
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10
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Carhart, Raymond E., Smith, Dennis H., and Venkataraghavan, R., Atom Pairs as Molecular Features in Structure-Activity Studies: Definition and Applications, J. Chem. inf. Comput. Sci., Vol. 25, No. 25 (1985) 64-73
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Bemis, Guy W. and Kuntz, irwin D., A fast and efficient method for 2D and 3D molecular shape description, J. Computer-Aided Molecular Design, Vol. 6 (1992) 607-628
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12
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Good, Andrew C. and Kuntz, Irwin D., Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors, J. Computer-Aided Molecular Design, Vol. 9, (1995) 373-379
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13
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Rouvray, D.H., The Search for Useful Topological Indices in Chemistry, American Scientist, Vol. 61, No. 6, (1973), 729-735.
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14
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Sabljid, Aleksandar and Trinajstid, Nenad, Quantitative structure-activity relationships: the role of topological indices, Acta Pharm. Jugosl., Vol 31, (1981), 189-214.
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15
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Trinajstic, N., Chemical Graph Theory, CRC Press, 1992.
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16
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Gillet, V. J. and Willett, P. and Bradshaw, j. and Green, D.V.S, Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties, J. Chem. Inf. Comput. Sci., Vol. 39, No. 1 (1999) 169-177
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17
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Lepovid, M. and Gutman, I., A Collective Property of Trees and Chemical Trees, j. Chem. Inf. Comput. Sci., Vol. 38, No. 5 (1998) 823-826
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18
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Bonchev, D., Gutman, I. and Polansky, O., Parity of the Distance Numbers and Wiener Numbers of Bipartite Graphs, Commun. Math. Chem., 22 (1987) 209-214
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19
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Wilf~ H. S., The Uniform Selection of Free Trees, Journal of Algorithms 2 (1981) 204-207
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20
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Brown, Robert D. and Martin, Yvonne C., Use of Structure-Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection, J. Chem. In}. Comput. Sci., Vol. 25, (1985) 64-73
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21
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Brown, Robert D. and Martin, Yvonne C., The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding, J. Chem. Inf. Comput. Sci., Vol. 37, (1997) 1-9
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22
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Needham, Diane E., Wei, I-Chen, and Seybold, Paul G., Molecular Modeling of the Physical Properties of Alkanes, j. Am Chem. Soc., Vol. 110, (1998), 4186- 4194
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23
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Plunkett, Matthew J. and Ellman, Jonathan A., Combinatorial Chemistry and New Drugs, Scientific American, April 1997, 69-73
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Mohar, Bojan, A Novel Definition of the Weiner index for Trees, J. Chem. Inf. Compu~. Sci, Vol. 33, (1993), 153-154
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