-
1
-
-
84987090159
-
Molecular Similarity Based on Electrostatic Potential and Electric-Field
-
Hodgkin, E. E.; Richards, W. G. Molecular Similarity Based On Electrostatic Potential And Electric-Field. Int. J. Quant. Chem. 1987, 14, 105-110.
-
(1987)
Int. J. Quant. Chem.
, vol.14
, pp. 105-110
-
-
Hodgkin, E.E.1
Richards, W.G.2
-
2
-
-
0028861515
-
Molecular surface comparison. 2. Similarity of electrostatic vector fields in drug design
-
Blaney, F. E.; Edge, C.; Phippen, R. W. Molecular surface comparison. 2. Similarity of electrostatic vector fields in drug design. J. Molecular Graph. 1995, 13, 165-174.
-
(1995)
J. Molecular Graph.
, vol.13
, pp. 165-174
-
-
Blaney, F.E.1
Edge, C.2
Phippen, R.W.3
-
3
-
-
0002960718
-
New Perspectives in Lead generation II: Evaluating molecular diversity
-
Ashton, M. J.; Jaye, M. C.; Mason, J. S. New Perspectives in Lead generation II: evaluating molecular diversity. Drug. Discovery Today 1996, 1, 71-78.
-
(1996)
Drug. Discovery Today
, vol.1
, pp. 71-78
-
-
Ashton, M.J.1
Jaye, M.C.2
Mason, J.S.3
-
4
-
-
0029240364
-
Predicting ligand binding to proteins by affinity fingerprinting
-
Kauver, L. M.; Higgins, D. L., Villar, H. O.; Sportsman, J. R.; Engqvist-Goldstein, A.; Bukar, R.; Bauer, K. E.; Dilley, H.; Rocke, D. M. Predicting ligand binding to proteins by affinity fingerprinting, Chem. Biol. 1995, 2, 112-118.
-
(1995)
Chem. Biol.
, vol.2
, pp. 112-118
-
-
Kauver, L.M.1
Higgins, D.L.2
Villar, H.O.3
Sportsman, J.R.4
Engqvist-Goldstein, A.5
Bukar, R.6
Bauer, K.E.7
Dilley, H.8
Rocke, D.M.9
-
5
-
-
0031035181
-
An information-intensive approach to the molecular pharmacology of cancer
-
Weinstein, J. N.; Myers, T. G.; O'Connor; P. M.; Friend, S. H.; Fornace, A. J., Jr.; Kohn, K. W.; Fojo, T.; Bates, S. E.; Rubinstein, L. V.; Anderson; N. L.; Buolamwini, J. K.; van Osdol, W. W.; Monks, A. P.; Scudiero, D. A.; Sausville, E. A.; Zaharevitz, D. W.; Bunow, B.; Viswanadhan, V. N.; Johnson, G. S.; Wittes, R. E.; Paull, K. D. An information-intensive approach to the molecular pharmacology of cancer. Science 1997, 275, 343-9.
-
(1997)
Science
, vol.275
, pp. 343-349
-
-
Weinstein, J.N.1
Myers, T.G.2
O'Connor, P.M.3
Friend, S.H.4
Fornace Jr., A.J.5
Kohn, K.W.6
Fojo, T.7
Bates, S.E.8
Rubinstein, L.V.9
Anderson, N.L.10
Buolamwini, J.K.11
Van Osdol, W.W.12
Monks, A.P.13
Scudiero, D.A.14
Sausville, E.A.15
Zaharevitz, D.W.16
Bunow, B.17
Viswanadhan, V.N.18
Johnson, G.S.19
Wittes, R.E.20
Paull, K.D.21
more..
-
6
-
-
0342645323
-
Use of Structure - Activity Data to Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
-
Brown, R. D.; Martin, Y. C. Use Of Structure - Activity Data To Compare Structure-Based Clustering Methods And Descriptors For Use In Compound Selection. J. Chem. Inf. Comput. Sci. 1996, 36, 572-584.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 572-584
-
-
Brown, R.D.1
Martin, Y.C.2
-
7
-
-
5244364312
-
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
-
Brown, R. D.; Martin, Y. C. The Information Content Of 2D And 3D Structural Descriptors Relevant To Ligand-Receptor Binding. J. Chem. Inf. Comput. Sci. 1997, 37, 1-9.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 1-9
-
-
Brown, R.D.1
Martin, Y.C.2
-
8
-
-
0031133147
-
Similarity measures for rational set selection and analysis of combinatorial libraries: The Diverse Property-Derived (DPD) approach
-
Lewis, R. A.; Mason, J. S.; McLay, I. M. Similarity measures for rational set selection and analysis of combinatorial libraries: the Diverse Property-Derived (DPD) approach. J. Chem. Inf. Comp. Sci. 1997, 37, 599-614.
-
(1997)
J. Chem. Inf. Comp. Sci.
, vol.37
, pp. 599-614
-
-
Lewis, R.A.1
Mason, J.S.2
McLay, I.M.3
-
9
-
-
0001302541
-
Molecular Similarity and Estimation of Molecular-Properties
-
Basak, S. C.; Grunwald, G. D. Molecular Similarity And Estimation Of Molecular-Properties. J. Chem. Inf. Comput. Sci. 1995, 35, 366-372.
-
(1995)
J. Chem. Inf. Comput. Sci.
, vol.35
, pp. 366-372
-
-
Basak, S.C.1
Grunwald, G.D.2
-
10
-
-
0001639610
-
Chemical Similarity Using Geometric Atom Pair Descriptors
-
Sheridan, R. P.; Miller, M. D.; Underwood, D. J.; Kearsley, S. K. Chemical Similarity Using Geometric Atom Pair Descriptors. J. Chem. Inf. Comput. Sci. 1996, 36, 128-136.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 128-136
-
-
Sheridan, R.P.1
Miller, M.D.2
Underwood, D.J.3
Kearsley, S.K.4
-
11
-
-
0001577643
-
Chemical Similarity Using Physiochemical Property Descriptors
-
Kearsley, S. K.; Sallamack, S.; Fluder, E. M.; Andose, J. D.; Mosley, R. T.; Sheridan, R. P. Chemical Similarity Using Physiochemical Property Descriptors. J. Chem. Inf. Comput. Sci. 1996, 36, 118-127.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.36
, pp. 118-127
-
-
Kearsley, S.K.1
Sallamack, S.2
Fluder, E.M.3
Andose, J.D.4
Mosley, R.T.5
Sheridan, R.P.6
-
12
-
-
0029610459
-
A Fast Algorithm for Selecting Sets of Dissimilar Molecules from Large Chemical Databases
-
Holliday, J. D.; Ranade, S. S.; Willett, P. A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases. Quant. Struct.-Act. Relat. 1995, 14, 501-506.
-
(1995)
Quant. Struct.-Act. Relat.
, vol.14
, pp. 501-506
-
-
Holliday, J.D.1
Ranade, S.S.2
Willett, P.3
-
13
-
-
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
-
14
-
-
0029783934
-
Neighborhood behavior: A useful concept for validation of "molecular diversity" descriptors
-
Patterson, D. E.; Cramer, R. D.; Ferguson, A. M.; Clark, R. D.; Weinberger, L. E. Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors. J. Med. Chem. 1996, 39, 3049-3059.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 3049-3059
-
-
Patterson, D.E.1
Cramer, R.D.2
Ferguson, A.M.3
Clark, R.D.4
Weinberger, L.E.5
-
15
-
-
85033841396
-
-
MDL Ltd.: San Leandro, CA
-
MACCS-II; MDL Ltd.: San Leandro, CA, 1992.
-
(1992)
MACCS-II
-
-
-
17
-
-
0008888090
-
-
Tripos Inc.: St. Louis, MO
-
UNITY Reference Manual; Tripos Inc.: St. Louis, MO, 1995.
-
(1995)
UNITY Reference Manual
-
-
-
19
-
-
0029046744
-
An assessment of amino acid exchange matrixes in aligning protein sequences: The twilight zone revisited
-
Vogt, G.; Etzold T.; Argos, P. An assessment of amino acid exchange matrixes in aligning protein sequences: the twilight zone revisited. J. Mol. Biol. 1995, 249, 816-31.
-
(1995)
J. Mol. Biol.
, vol.249
, pp. 816-831
-
-
Vogt, G.1
Etzold, T.2
Argos, P.3
-
20
-
-
0027506279
-
Structural and sequence relationships in the lipocalins and related proteins
-
Flower, D. R.; North, A. C. T.; Attwood, T. K. Structural and sequence relationships in the lipocalins and related proteins, Prot. Science 1993, 2, 753-761.
-
(1993)
Prot. Science
, vol.2
, pp. 753-761
-
-
Flower, D.R.1
North, A.C.T.2
Attwood, T.K.3
-
21
-
-
0027375519
-
Structural relationship of Streptavidin to the Calycin Protein Superfamily
-
Flower, D. R. Structural relationship of Streptavidin to the Calycin Protein Superfamily. FEBS Lett. 1993, 333, 99-102.
-
(1993)
FEBS Lett.
, vol.333
, pp. 99-102
-
-
Flower, D.R.1
-
22
-
-
11744273806
-
The microstructure of chemical databases and the choice of representation for retrieval
-
Wipke, W. T., et al. Eds.; Wiley: New York
-
Lynch, M. F. The microstructure of chemical databases and the choice of representation for retrieval. In Computer Representation and Manipulation of Chemical Information; Wipke, W. T., et al. Eds.; Wiley: New York, 1974.
-
(1974)
Computer Representation and Manipulation of Chemical Information
-
-
Lynch, M.F.1
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