DOI: 10.1016/s1093-3263(00)00065-6. Visualizing substructural fingerprints11Color Plates for this article are on pages 527

Visualizing substructural fingerprints11Color Plates for this article are on pages 527–532.

10.1016/s1093-3263(00)00065-6

Crossref journal-article

Elsevier BV

Journal of Molecular Graphics and Modelling (78)

Bibliography

Clark, R. D., Patterson, D. E., Soltanshahi, F., Blake, J. F., & Matthew, J. B. (2000). Visualizing substructural fingerprints11Color Plates for this article are on pages 527â532. Journal of Molecular Graphics and Modelling, 18(4â5), 404â411.

Authors 5

Robert D Clark (first)
David E Patterson (additional)
Farhad Soltanshahi (additional)
James F Blake (additional)
James B Matthew (additional)

References 33 Referenced 15

MDL Information Systems, Inc., 146000 Catalina Street, San Leandro, CA 94577
Daylight Chemical Information Systems, Inc., 27401 Los Altos, Mission Viejo, CA 92691
UNITY is distributed by Tripos, Inc., 1699 S. Hanley Rd., St. Louis, MO 63144
10.1021/ci9800211 / J. Chem. Inf. Comput. Sci. / Chemical similarity searching by Willett (1998)
10.1021/ci9501047 / J. Chem. Inf. Comput. Sci. / Use of structure-activity data to compare structure-based clustering methods and descriptors for use in compound selection by Brown (1996)
{'key': '10.1016/S1093-3263(00)00065-6_BIB6', 'first-page': ', 9', 'article-title': 'Compound libraries for lead discovery', 'volume': '6', 'author': 'Matter', 'year': '1996', 'journal-title': 'Chem. Oggi'} / Chem. Oggi / Compound libraries for lead discovery by Matter (1996)
10.1021/jm960290n / Med. Chem. / Neighborhood behavior by Patterson (1996)
10.1021/jm960352+ / J. Med. Chem. / Selecting optimally diverse compounds from structure databases by Matter (1997)
Wild, D.J., and Blankley, C.J. Comparison of 2D fingerprint types and hierarchy level selecection metrhods for structural grouping using Ward’s clustering. J. Chem. Inf. Comput. Sci. 2000, 40, 155–162 (10.1021/ci990086j)
10.1002/qsar.19860050105 / Quant. Struct.-Act. Relat. / A comparison of some measures for the determination of inter-molecular structural similarity by Willett (1986)
10.1021/ci00010a010 / J. Chem. Inf. Comput. Sci. / Clustering of chemical structures on the basis of two-dimensional similarity measures by Barnard (1992)
Gower, J.C. Measures of similarity, dissimilarity and distance. In: Encyclopedia of statistical sciences, Volume 5, Kotz, S., and Johnson, N.L., Eds., John Wiley & Sons, New York, 1985, pp. 397–405
Available Chemicals Directory is distributed by MDL Information Systems, Inc., 146000 Catalina Street, San Leandro, CA 94577
ChemEnlighten is a registered trademark of Tripos, Inc., St. Louis, MO 63144
10.1016/S0169-409X(96)00423-1 / Adv. Drug Deliv. Rev. / Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings by Lipinski (1997)
CLogP is a product of BioByte, Inc., Pomona Corporation
Patent pending. OptiSim is a registered trademark of Tripos, Inc., 1699 S. Hanley Rd., St. Louis, MO 63144
10.1021/ci970282v / J. Chem. Inf. Comput. Sci. / OptiSim by Clark (1997)
10.1021/ci980107u / J. Chem. Inf. Comput. Sci. / Balancing representativeness against diversity using optimizable K-dissimilarity and hierarchical clustering by Clark (1998)
10.1021/ci960109j / J. Chem. Inf. Comput. Sci. / SYBYL line notation (SLN) by Ash (1997)
SYBYL is distributed by Tripos, Inc., St. Louis, MO 63144
Judson, R. Genetic algorithms and their use in chemistry. In: Reviews in computational chemistry, Volume 10 Lipkowitz, K.B., and Boyd, D.B., Eds., VCH Publishers, New York, 1997, pp. 1–73 (10.1002/9780470125878.ch1)
10.1021/jm00009a003 / J. Med. Chem. / Measuring diversity by Martin (1995)
10.1007/BF00123998 / J. Comput.-Aided Mol. Design / Enhancing the diversity of a corporate database using chemical database clustering and analysis by Shemetulskis (1995)
10.1109/T-C.1969.222678 / IEEE Trans. Comput. / A nonlinear mapping for data structure analysis by Sammon (1969)
Kowalski, B.R., and Bender, C.F. Pattern recognition-II. Linear and nonlinear methods for displaying chemical data. J. Am. Chem. Soc. 1973, 95, 686–692 (10.1021/ja00784a007)
10.1002/cem.1180070402 / J. Chemometrics / Non-linear mapping for structure-activity and structure-property modelling by Domine (1993)
10.1007/BF01590995 / J. Comput.-Aided Mol. Design / Pattern recognition display methods for the analysis of computed molecular properties by Hudson (1989)
10.1021/ci9700337 / J. Chem. Inf. Comput. Sci. / Stochastic algorithms for maximizing molecular diversity by Agrafiotis (1997)
10.1021/ci970437z / J. Chem. Inf. Comput. Sci. / On the properties of bit string-based measures of chemical similarity by Flower (1998)
Patent pending
10.1021/ci970420g / J. Chem. Inf. Comput. Sci. / The effectiveness of reactant pools for generating structurally-diverse combinatorial libraries by Gillet (1997)
10.1007/BF01715525 / Mol. Diversity / Assessing the ability of chemical similarity measures to discriminate between active and inactive compounds by Delaney (1995)

Dates

Type	When
Created	23 years, 1 month ago (July 25, 2002, 3:58 a.m.)
Deposited	5 years, 7 months ago (Jan. 7, 2020, 10:41 p.m.)
Indexed	1 year, 10 months ago (Oct. 18, 2023, 7:28 p.m.)
Issued	25 years, 7 months ago (Jan. 1, 2000)
Published	25 years, 7 months ago (Jan. 1, 2000)
Published Print	25 years, 7 months ago (Jan. 1, 2000)

Funders 0

None

BibTeX

@article{Clark_2000, title={Visualizing substructural fingerprints11Color Plates for this article are on pages 527–532.}, volume={18}, ISSN={1093-3263}, url={http://dx.doi.org/10.1016/s1093-3263(00)00065-6}, DOI={10.1016/s1093-3263(00)00065-6}, number={4–5}, journal={Journal of Molecular Graphics and Modelling}, publisher={Elsevier BV}, author={Clark, Robert D and Patterson, David E and Soltanshahi, Farhad and Blake, James F and Matthew, James B}, year={2000}, pages={404–411} }

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