-
3
-
-
0003748610
-
-
Smith, E. G., Baker, P. A., Eds.; Chemical Information Management Inc.: NJ
-
Smith, E. G.; Baker, P. A. The Wiswesser Line-Formula Chemical Notation (WLN); Smith, E. G., Baker, P. A., Eds.; Chemical Information Management Inc.: NJ, 1975.
-
(1975)
The Wiswesser Line-Formula Chemical Notation (WLN)
-
-
Smith, E.G.1
Baker, P.A.2
-
4
-
-
85033870669
-
-
Tripos Associates. Inc.: St. Louis, MO
-
SLN Manual; Tripos Associates. Inc.: St. Louis, MO, 1995.
-
(1995)
SLN Manual
-
-
-
5
-
-
0023965741
-
SMILES: A chemical language and information system. I. Introduction to methodology and encoding rules
-
Weininger, D. SMILES: a chemical language and information system. I. Introduction to methodology and encoding rules. J. Chem. Inf. Comput. Sci. 1988, 28, 31-36.
-
(1988)
J. Chem. Inf. Comput. Sci.
, vol.28
, pp. 31-36
-
-
Weininger, D.1
-
6
-
-
77956822846
-
3D Database Searching and Docking Strategies
-
Humblet, C.; Dunbar, J. B., Jr. 3D Database Searching and Docking Strategies. Ann. Repts. Med. Chem. 1993, 27, 275-284.
-
(1993)
Ann. Repts. Med. Chem.
, vol.27
, pp. 275-284
-
-
Humblet, C.1
Dunbar Jr., J.B.2
-
8
-
-
85033841396
-
-
MDL Ltd.: San Leandro, CA
-
MACCS-II: MDL Ltd.: San Leandro, CA, 1992.
-
(1992)
MACCS-II
-
-
-
11
-
-
33746132663
-
Implementation of Nonhierarchic Cluster Analysis Methods in Chemical Information Systems: Selection of Compounds fro Biological Testing and Clustering of Substructure Search Output
-
Willett, P.; Winterman, V.; Bawden, D. Implementation of Nonhierarchic Cluster Analysis Methods in Chemical Information Systems: Selection of Compounds fro Biological Testing and Clustering of Substructure Search Output. J. Chem. inf. Comput. Sci. 1986, 26, 109-118.
-
(1986)
J. Chem. Inf. Comput. Sci.
, vol.26
, pp. 109-118
-
-
Willett, P.1
Winterman, V.2
Bawden, D.3
-
12
-
-
84955113691
-
Clustering of chemical structure databases for compound selection
-
van de Waterbeemd, H., Ed.; VCH: Weinheim
-
Downs, G. M.: Willett, P. Clustering of chemical structure databases for compound selection. In Advanced Computer-Assisted Techniques in Drug Discovery; van de Waterbeemd, H., Ed.; VCH: Weinheim, 1994; pp 111-130.
-
(1994)
Advanced Computer-Assisted Techniques in Drug Discovery
, pp. 111-130
-
-
Downs, G.M.1
Willett, P.2
-
13
-
-
0029382865
-
Enhancing the Diversity of a Corporate Database Using Chemical Database Clustering and Analysis
-
Shemetulskis, N. E.; Dunbar, J. J., Dunbar, B.; Moreland, D. W.; Humblet, C. Enhancing the Diversity of a Corporate Database Using Chemical Database Clustering and Analysis. J. Comput-Aided Molecular Design 1995, 9, 407-416.
-
(1995)
J. Comput-Aided Molecular Design
, vol.9
, pp. 407-416
-
-
Shemetulskis, N.E.1
Dunbar, J.J.2
Dunbar, B.3
Moreland, D.W.4
Humblet, C.5
-
14
-
-
85033866371
-
Characterizing molecular diversity of molecular populations
-
Anaheim, CA; American Chemical Society: Washington, DC, April 2-6, Abstract 209
-
Wipke, W. T.; Koehler, R. Characterizing molecular diversity of molecular populations. National Meeting of the American Chemical Society, Anaheim, CA; American Chemical Society: Washington, DC, April 2-6, 1995; Abstract 209.
-
(1995)
National Meeting of the American Chemical Society
-
-
Wipke, W.T.1
Koehler, R.2
-
15
-
-
0029395281
-
CHORTLES: A Method for Representing and Searching Oligomeric and Template-based Mixtures
-
Siani, M. A.; Weininger, D.; Blaney, J. M., CHORTLES: A Method for Representing and Searching Oligomeric and Template-based Mixtures. J. Chem. Inf. Comput. Sci. 1995, 35, 1026-1033
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 1026-1033
-
-
Siani, M.A.1
Weininger, D.2
Blaney, J.M.3
-
16
-
-
0028431114
-
CHUCKLES: A method for representing and searching peptide and peptoid sequences on both monomer and atomic levels
-
Siani, M. A.; Weininger, D.; Blaney, J. M., CHUCKLES: A method for representing and searching peptide and peptoid sequences on both monomer and atomic levels. J. Chem. Inf. Comput. Sci. 1994, 34, 588-593.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 588-593
-
-
Siani, M.A.1
Weininger, D.2
Blaney, J.M.3
-
17
-
-
0029271228
-
Using a Genetic Algorithm to Suggest Combinatorial Libraries
-
Sheridan, R. P.; Kearsley, S. K. Using a Genetic Algorithm to Suggest Combinatorial Libraries. J. Chem. Inf. Comput Sci. 1995, 35, 310-320.
-
(1995)
J. Chem. Inf. Comput Sci.
, vol.35
, pp. 310-320
-
-
Sheridan, R.P.1
Kearsley, S.K.2
-
18
-
-
0028953765
-
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
-
Martin, E. J.; Blaney, J. M.; Siani, M. A.; Spellmeyer, D. C.; Wong, A. K.; Moos, W. H. Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery. J. Med. Chem. 1995, 38, 1431-1436.
-
(1995)
J. Med. Chem.
, vol.38
, pp. 1431-1436
-
-
Martin, E.J.1
Blaney, J.M.2
Siani, M.A.3
Spellmeyer, D.C.4
Wong, A.K.5
Moos, W.H.6
-
19
-
-
85033832598
-
-
MDL, Ltd.: San Leandro, CA.
-
Project Library; MDL, Ltd.: San Leandro, CA. 1995.
-
(1995)
Project Library
-
-
-
20
-
-
85033862552
-
-
Tripos Associates: St. Louis, MO
-
Legion and Selector; Tripos Associates: St. Louis, MO, 1995.
-
(1995)
Legion and Selector
-
-
-
21
-
-
0028380643
-
CAVEAT: A program to facilitate the design of organic molecules
-
Lauri, G.; Bartlett, P. A. CAVEAT: A program to facilitate the design of organic molecules. J. Comput.-Aided Molecular Design 1994, 8, 51-56.
-
(1994)
J. Comput.-Aided Molecular Design
, vol.8
, pp. 51-56
-
-
Lauri, G.1
Bartlett, P.A.2
-
22
-
-
0002686372
-
A Hyperstructure Model tor Chemical Structure Handling: Generation and Atom-by-Atom Searching of Hyperstructures
-
Brown, R. D.; Downs, G. M.; Willett, P.; Cook, A. P. F. A Hyperstructure Model tor Chemical Structure Handling: Generation and Atom-by-Atom Searching of Hyperstructures. J. Chem. Inf. Comput. Sci. 1992, 32, 522-531.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 522-531
-
-
Brown, R.D.1
Downs, G.M.2
Willett, P.3
Cook, A.P.F.4
-
23
-
-
33751392562
-
Molecular Substructure Similarity Searching: Efficient Retrieval in Two-Dimensional Structure Databases
-
Hagadone, T. R. Molecular Substructure Similarity Searching: Efficient Retrieval in Two-Dimensional Structure Databases. J. Chem. Inf. Comput. Sci. 1992, 32, 515-521.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 515-521
-
-
Hagadone, T.R.1
-
24
-
-
0018472859
-
Computer-Assisted Examination of Chemical Compounds for Structural Similarities
-
Varkony, T. H.; Shiloach, Y.; Smith, D. Computer-Assisted Examination of Chemical Compounds for Structural Similarities. J. Chem. Inf. Comput. Sci. 1978, 19, 104-111.
-
(1978)
J. Chem. Inf. Comput. Sci.
, vol.19
, pp. 104-111
-
-
Varkony, T.H.1
Shiloach, Y.2
Smith, D.3
-
25
-
-
0000135628
-
Identification of structural similarity of organic molecules
-
Takahashi, Y. Identification of structural similarity of organic molecules. Top. Curr. Chem. 1995., 174, 105-33.
-
(1995)
Top. Curr. Chem.
, vol.174
, pp. 105-133
-
-
Takahashi, Y.1
-
26
-
-
33751392687
-
An Algorithm for the Multiple Common Subgraph Problem
-
Bayada, D. M.; Simpson, A. W.; Johnson, A. P.; Laurence, O. C. An Algorithm for the Multiple Common Subgraph Problem. J. Chem. Inf. Comput. Sci. 1992, 32, 680-685.
-
(1992)
J. Chem. Inf. Comput. Sci.
, vol.32
, pp. 680-685
-
-
Bayada, D.M.1
Simpson, A.W.2
Johnson, A.P.3
Laurence, O.C.4
-
28
-
-
85033837071
-
-
We are indebted to J. Bradshaw for informing us of some early formulations of this concept
-
We are indebted to J. Bradshaw for informing us of some early formulations of this concept.
-
-
-
-
29
-
-
0000628016
-
Quantitative Approaches to the Study of Bacterial Species
-
Liston, J.; Weibe, W.; Colwell, R. R. Quantitative Approaches to the Study of Bacterial Species. J. Bacterial. 1963, 85, 1061-1070.
-
(1963)
J. Bacterial.
, vol.85
, pp. 1061-1070
-
-
Liston, J.1
Weibe, W.2
Colwell, R.R.3
-
30
-
-
0008463043
-
-
Daylight Chemical Information Systems. Inc.: Irvine, CA
-
Toolkits, 4.41 ed.; Daylight Chemical Information Systems. Inc.: Irvine, CA, 1995.
-
(1995)
Toolkits, 4.41 Ed.
-
-
-
31
-
-
5344249597
-
-
Daylight Chemical Information Systems, Inc.: Irvine, CA
-
Maybridge database, 1994 ed.; Daylight Chemical Information Systems, Inc.: Irvine, CA, 1994.
-
(1994)
Maybridge Database, 1994 Ed.
-
-
-
32
-
-
0022271046
-
2 Receptor Binding Sites for Agonists: A Tetrahedral Model
-
2 Receptor Binding Sites for Agonists: A Tetrahedral Model. Molecular Pharmacology 1985, 28, 391-399.
-
(1985)
Molecular Pharmacology
, vol.28
, pp. 391-399
-
-
Seeman, P.1
Watanabe, M.2
Grigoriadis, D.3
Tedesco, J.L.4
George, S.R.5
Svensson, U.6
Lars, J.7
Nilsson, G.8
Neumeyer, J.L.9
-
33
-
-
85033855090
-
3_D property-based precursor selection tor combinatorial library construction
-
Chicago, IL: American Chemical Society: Washington, DC, August 20-25, Abstract 210
-
Brown, R. D.; Bures, M. G.; Martin, Y. C. 3_D property-based precursor selection tor combinatorial library construction. National Meeting of the American Chemical Society, Chicago, IL: American Chemical Society: Washington, DC, August 20-25, 1995: Abstract 210.
-
(1995)
National Meeting of the American Chemical Society
-
-
Brown, R.D.1
Bures, M.G.2
Martin, Y.C.3
|