-
3
-
-
0036560521
-
Combinatorial informatics in the post-genomics era
-
Agrafiotis, D. K.; Lobanov, V. S.; Salemme, F. R. Combinatorial informatics in the post-genomics era. Nature Rev. Drug Discovery 2002, 1, 337-346.
-
(2002)
Nature Rev. Drug Discovery
, vol.1
, pp. 337-346
-
-
Agrafiotis, D.K.1
Lobanov, V.S.2
Salemme, F.R.3
-
5
-
-
58149421595
-
Analysis of a complex of statistical variables into principal components
-
Hotelling, H. Analysis of a complex of statistical variables into principal components. J. Educ. Psychol. 1933, 24, 417-441, 498-520.
-
(1933)
J. Educ. Psychol.
, vol.24
, pp. 417-441
-
-
Hotelling, H.1
-
9
-
-
84887006810
-
A nonlinear mapping for data structure analysis
-
Sammon, J. W. A nonlinear mapping for data structure analysis. IEEE Trans. Computers 1969, 18, 401-409.
-
(1969)
IEEE Trans. Computers
, vol.18
, pp. 401-409
-
-
Sammon, J.W.1
-
10
-
-
0034704229
-
A global geometric framework for nonlinear dimensionality reduction
-
Tenenbaum, J., B.; de Suva, V.; Langford, J., C. A global geometric framework for nonlinear dimensionality reduction. Science 2000, 290, 2319-2323.
-
(2000)
Science
, vol.290
, pp. 2319-2323
-
-
Tenenbaum, J.B.1
De Suva, V.2
Langford, J.C.3
-
11
-
-
0034704222
-
Nonlinear dimensionality reduction by localy linear embedding
-
Roweis, S., T.; Saul, L., K. Nonlinear dimensionality reduction by localy linear embedding. Science 2000, 290, 2323-2326.
-
(2000)
Science
, vol.290
, pp. 2323-2326
-
-
Roweis, S.T.1
Saul, L.K.2
-
12
-
-
0037059052
-
A self-organizing principle for learning nonlinear manifolds
-
Agrafiotis, D. K.; Xu, H. A self-organizing principle for learning nonlinear manifolds. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 15869-15872.
-
(2002)
Proc. Natl. Acad. Sci. U.S.A.
, vol.99
, pp. 15869-15872
-
-
Agrafiotis, D.K.1
Xu, H.2
-
16
-
-
0000805679
-
The molecular connectivity chi indexes and kappa shape indexes in structure-property modeling
-
VCH Publishers: New York
-
Hall, L. H.; Kier, L. B. The molecular connectivity chi indexes and kappa shape indexes in structure-property modeling. Reviews in Computational Chemistry; VCH Publishers: New York, 1991; pp 367-422.
-
(1991)
Reviews in Computational Chemistry
, pp. 367-422
-
-
Hall, L.H.1
Kier, L.B.2
-
17
-
-
0013058862
-
-
United States Patent 5,463,564
-
Agrafiotis, D. K.; Bone, R. F.; Salemme, F. R.; Soll, R. M. System and method for automatically generating chemical compounds with desired properties; United States Patent 5,463,564, 1995.
-
(1995)
System and Method for Automatically Generating Chemical Compounds with Desired Properties
-
-
Agrafiotis, D.K.1
Bone, R.F.2
Salemme, F.R.3
Soll, R.M.4
-
18
-
-
0034240561
-
Visualizing substructural fingerprints
-
Clark, R. D.; Patterson, D. E.; Soltanshahi, P.; Blake, J. F.; Matthew, J. B. Visualizing substructural fingerprints. J. Mol. Graphics Modelling 2000, 18, 404-411.
-
(2000)
J. Mol. Graphics Modelling
, vol.18
, pp. 404-411
-
-
Clark, R.D.1
Patterson, D.E.2
Soltanshahi, P.3
Blake, J.F.4
Matthew, J.B.5
-
19
-
-
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
-
20
-
-
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
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