-
1
-
-
0842349389
-
Novel technologies for virtual screening
-
Lengauer, T.; Lemmen, C.; Rarey, M.; Zimmermann, M. Novel technologies for virtual screening. Drug Discovery Today 2004, 9, 27-34.
-
(2004)
Drug Discovery Today
, vol.9
, pp. 27-34
-
-
Lengauer, T.1
Lemmen, C.2
Rarey, M.3
Zimmermann, M.4
-
2
-
-
0037013685
-
Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors
-
Naerum, L.; Norskov-Lauritsen, L.; Olesen, P. H. Scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors. Bioorg. Med. Chem. 2002, 12, 1525-1528.
-
(2002)
Bioorg. Med. Chem
, vol.12
, pp. 1525-1528
-
-
Naerum, L.1
Norskov-Lauritsen, L.2
Olesen, P.H.3
-
3
-
-
0034130399
-
De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks
-
Schneider, G.; Lee, M. L.; Stahl, M.; Schneider, P. De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks. J. Comput.-Aided Mol. Des. 2000, 14, 487-494.
-
(2000)
J. Comput.-Aided Mol. Des
, vol.14
, pp. 487-494
-
-
Schneider, G.1
Lee, M.L.2
Stahl, M.3
Schneider, P.4
-
4
-
-
0034923575
-
Similarity searching in large combinatorial chemistry spaces
-
Rarey, M.; Stahl, M. Similarity searching in large combinatorial chemistry spaces. J. Comput.-Aided Mol. Des. 2001, 15, 497-520.
-
(2001)
J. Comput.-Aided Mol. Des
, vol.15
, pp. 497-520
-
-
Rarey, M.1
Stahl, M.2
-
5
-
-
0027193713
-
-
Rotstein, S. H.; Murcko, M. A. GroupBuild: A fragment-based method for de novo drug design. J. Med. Chem. 1993, 36, 1700-1710.
-
Rotstein, S. H.; Murcko, M. A. GroupBuild: A fragment-based method for de novo drug design. J. Med. Chem. 1993, 36, 1700-1710.
-
-
-
-
6
-
-
0028522983
-
On the use of LUDI to search the fine chemicals directory for ligands of proteins of known three-dimensional structure
-
Boehm, H. J. On the use of LUDI to search the fine chemicals directory for ligands of proteins of known three-dimensional structure. J. Comput.-Aided Mol. Des. 1994, 8, 623-632.
-
(1994)
J. Comput.-Aided Mol. Des
, vol.8
, pp. 623-632
-
-
Boehm, H.J.1
-
7
-
-
0003098785
-
Site-directed structure generation by fragment-joining
-
Boehm, H. J. Site-directed structure generation by fragment-joining. Perspect. Drug Discovery Des. 1995, 3, 21-33.
-
(1995)
Perspect. Drug Discovery Des
, vol.3
, pp. 21-33
-
-
Boehm, H.J.1
-
8
-
-
0029965861
-
Dynamic connection of fragments as an approach to de novo ligand design
-
Pearlman, D. A.; Murcko, M. A. CONCERTS: Dynamic connection of fragments as an approach to de novo ligand design. J. Med. Chem. 1996, 39, 1651-1663.
-
(1996)
J. Med. Chem
, vol.39
, pp. 1651-1663
-
-
Pearlman, D.A.1
Murcko, M.2
CONCERTS, A.3
-
9
-
-
0032058905
-
Recap Retrosynthetic Combinatorial Analysis Procedure-a Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
-
Lewell, X. Q.; Judd, D. B.; Watson, S. P.; Hann, M. M. Recap Retrosynthetic Combinatorial Analysis Procedure-a Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry. J. Chem. Inf. Comput. Sci. 1998, 38, 511-522.
-
(1998)
J. Chem. Inf. Comput. Sci
, vol.38
, pp. 511-522
-
-
Lewell, X.Q.1
Judd, D.B.2
Watson, S.P.3
Hann, M.M.4
-
11
-
-
34247217590
-
-
MedChem03 database; BioByte: Claremont, CA, and Daylight Chemical Information Systems, Inc.: Aliso Viejo, CA.
-
MedChem03 database; BioByte: Claremont, CA, and Daylight Chemical Information Systems, Inc.: Aliso Viejo, CA.
-
-
-
-
12
-
-
0004117251
-
-
Daylight Chemical Information Systems, Inc, accessed Dec 19
-
Daylight Theory Manual; Daylight Chemical Information Systems, Inc. http://www.daylight.com/dayhtml/doc/prog/index.html (accessed Dec 19, 2006).
-
(2006)
Daylight Theory Manual
-
-
-
13
-
-
34247255564
-
-
Daylight Chemical Information Systems, Inc, Aliso Viejo, CA
-
Daylight Toolkit 4.7; Daylight Chemical Information Systems, Inc.: Aliso Viejo, CA.
-
Daylight Toolkit 4.7
-
-
-
14
-
-
20444410051
-
Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods
-
Stahl, M.; Mauser, H. Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods. J. Chem. Inf. Model. 2005, 45, 542-548.
-
(2005)
J. Chem. Inf. Model
, vol.45
, pp. 542-548
-
-
Stahl, M.1
Mauser, H.2
-
15
-
-
34247277752
-
-
OEChem, Version 1.3.3; Open Eye: Santa Fe, NM
-
OEChem, Version 1.3.3; Open Eye: Santa Fe, NM.
-
-
-
-
16
-
-
0036522746
-
Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm
-
Raymond, J. W.; Gardiner, E. J.; Willett, P. Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm. J. Chem. Inf. Comput. Sci. 2002, 42, 305-316.
-
(2002)
J. Chem. Inf. Comput. Sci
, vol.42
, pp. 305-316
-
-
Raymond, J.W.1
Gardiner, E.J.2
Willett, P.3
-
17
-
-
21244496075
-
Robust Clustering Method for Chemical Structures
-
Stahl, M.; Mauser, H.; Tsui, M.; Taylor, N. R. A. Robust Clustering Method for Chemical Structures. J. Med. Chem. 2005, 48, 4358-4366.
-
(2005)
J. Med. Chem
, vol.48
, pp. 4358-4366
-
-
Stahl, M.1
Mauser, H.2
Tsui, M.3
Taylor, N.R.A.4
-
18
-
-
0032671931
-
Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
-
Butina, D. Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets. J. Chem. Inf. Comput. Sci. 1999, 39, 747-750.
-
(1999)
J. Chem. Inf. Comput. Sci
, vol.39
, pp. 747-750
-
-
Butina, D.1
-
19
-
-
0032149905
-
Feature trees: A new molecular similarity measure based on tree matching
-
Rarey, M.; Dixon, J. S. Feature trees: A new molecular similarity measure based on tree matching. J. Comput.-Aided Mol. Des. 1998, 12, 471-490.
-
(1998)
J. Comput.-Aided Mol. Des
, vol.12
, pp. 471-490
-
-
Rarey, M.1
Dixon, J.S.2
-
20
-
-
18744432418
-
Synthesis and antitumor activity of 4-phenyl-1-arylsulfonyl imidazolidinones
-
Jung, S.-H.; Lee, H.-S.; Song, J.-S.; Kim, H.-M.; Han, S.-B. et al. Synthesis and antitumor activity of 4-phenyl-1-arylsulfonyl imidazolidinones. Bioorg. Med. Chem. Lett. 1998, 8, 1547-1550.
-
(1998)
Bioorg. Med. Chem. Lett
, vol.8
, pp. 1547-1550
-
-
Jung, S.-H.1
Lee, H.-S.2
Song, J.-S.3
Kim, H.-M.4
Han, S.-B.5
-
21
-
-
8844223432
-
Novel diarylsulfonylurea derivatives as potent antimitotic agents
-
Kim, S.; Park, J. H.; Koo, S.-Y.; Kim, J. I.; Kim, M.-H. et al. Novel diarylsulfonylurea derivatives as potent antimitotic agents. Bioorg. Med. Chem. Lett. 2004, 14, 6075-6078.
-
(2004)
Bioorg. Med. Chem. Lett
, vol.14
, pp. 6075-6078
-
-
Kim, S.1
Park, J.H.2
Koo, S.-Y.3
Kim, J.I.4
Kim, M.-H.5
-
22
-
-
34247270345
-
-
Bell, M. R. 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics. Eur. Pat. Appl. 1986; EP 171037.
-
Bell, M. R. 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics. Eur. Pat. Appl. 1986; EP 171037.
-
-
-
-
23
-
-
0033523672
-
Scaffold- Hopping by topological pharmacophore search: A contribution to virtual screening
-
Schneider, G.; Neidhart, W.; Giller, T.; Schmid, G. "Scaffold- Hopping" by topological pharmacophore search: a contribution to virtual screening. Angew. Chem. Int. Ed. 1999, 38, 2894-2896.
-
(1999)
Angew. Chem. Int. Ed
, vol.38
, pp. 2894-2896
-
-
Schneider, G.1
Neidhart, W.2
Giller, T.3
Schmid, G.4
-
24
-
-
13344284559
-
Scaffold Hopping
-
Boehm, H.-J.; Flohr, A.; Stahl, M. Scaffold Hopping. Drug Discovery Today Technol. 2004, 1, 217-224.
-
(2004)
Drug Discovery Today Technol
, vol.1
, pp. 217-224
-
-
Boehm, H.-J.1
Flohr, A.2
Stahl, M.3
|