Database organization and searching with E-state indices

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Volumn 44, Issue , 2001, Pages 215-235

  Kier, Lemont B ^a   Hall, Lowell H ^b  

^a VIRGINIA COMMONWEALTH UNIVERSITY   (United States)

^b EASTERN NAZARENE COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE DERIVATIVE; BENZTHIAZURON; CHLORZOXAZONE; COLTEROL; ESTER DERIVATIVE; FLUPIRTINE; FLUTEMAZEPAM; IPRONIAZID; ISOETARINE; LOPIRAZEPAM; LORMETAZEPAM; ORCIPRENALINE; PIRBUTEROL; SALBUTAMOL; SULFAFURAZOLE; TEMAZEPAM; TERBUTALINE; UNCLASSIFIED DRUG;

ARTICLE; ATOM; CALCULATION; CHEMICAL STRUCTURE; DATA BASE; DRUG STRUCTURE; STRUCTURE ANALYSIS;

EID: 0035746462     PISSN: 03406253     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (14)

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2. Lajiness, M. S., Molecular Similarity-Based Methods for Selecting Compounds for Screening, in Computational Chemical Graph Theory. D. H. Rouvray, Ed., Nova Science, New York 1990, pp.300-312.
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4. Willett, P., Similarity and Clustering in Chemical Information Systems, John Wiley & Sons, New York 1987, 315p.
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7. Kier, L. B. and Hall, L. H. Molecular Structure Description: The Electrotopological State, Academic Press, San Diego, 1999, 145p.
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11. MOLCONN-Z may be obtained from Hall Associates Consulting, 2 Davis Street, Quincy, MA; SciVision Inc., 128 Spring Street, Lexington, MA 02173; Edusoft, LC, PO Box 1811, Ashland, VA 23005; and Tripos, Inc., 1699 South Hanley Rd, St. Louis, MO, 63144.
12. Kier, L. B. and Hall, L. H. The E-state in database analysis: The PCB's as an example, Il Farmaco, 1999, 54, 346-551
13. Brown, R. D. and Martin, Y. C. The use of structure-activity data to compare structure based clustering methods: Descriptors for use in compound selection, J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
14. Galvez, J., Garcia-Domenech, R., de Julian-Ortiz, J. V., and Soler.R., Topological approach to drug design, J. Chem. Inf. Comput. Sci. 1995, 35, 272-284.