-
1
-
-
0030756360
-
Reactive compounds and in vitro false positives in HTS
-
Rishton, G.M. Reactive compounds and in vitro false positives in HTS. Drug Discov. Today 1997, 2, 382-384.
-
(1997)
Drug Discov. Today
, vol.2
, pp. 382-384
-
-
Rishton, G.M.1
-
2
-
-
0037439447
-
Nonleadlikeness and leadlikeness in biochemical screening
-
Rishton, G.M. Nonleadlikeness and leadlikeness in biochemical screening. Drug Discov. Today 2003, 8, 86-96.
-
(2003)
Drug Discov. Today
, vol.8
, pp. 86-96
-
-
Rishton, G.M.1
-
3
-
-
0037011890
-
Development of a virtual screening method for identification of "Frequent Hitters. in compound libraries
-
Roche, O.; Schneider, P.; Zuegge, J.; Guba, W.; Kansy, M.; Alanine, A.; BLleicher, K.; Danel, F.; Gutknecht, E.; Rogers-Evans, M.; Neidhart, W.; Stalder, H.; Dillon, M.; Sjögren, E.; Fotouhi, N.; Gillespie, P.; Goodnow, R.; Harris, W.; Jones, P.; Taniguchi, M.; Tsujii, S.; von der Saal, W.; Zimmermann, G.; Schneider, G. Development of a virtual screening method for identification of "Frequent Hitters. in compound libraries. J. Med. Chem. 2002, 45, 137-142.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 137-142
-
-
Roche, O.1
Schneider, P.2
Zuegge, J.3
Guba, W.4
Kansy, M.5
Alanine, A.6
Blleicher, K.7
Danel, F.8
Gutknecht, E.9
Rogers-Evans, M.10
Neidhart, W.11
Stalder, H.12
Dillon, M.13
Sjögren, E.14
Fotouhi, N.15
Gillespie, P.16
Goodnow, R.17
Harris, W.18
Jones, P.19
Taniguchi, M.20
Tsujii, S.21
Von Der Saal, W.22
Zimmermann, G.23
Schneider, G.24
more..
-
4
-
-
0141792701
-
A specific mechanism of nonspecific inhibition
-
McGovern, S.L.; Helfand, B.T.; Feng, B. A specific mechanism of nonspecific inhibition. J. Med. Chem. 2003, 46, 4265-4272.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 4265-4272
-
-
McGovern, S.L.1
Helfand, B.T.2
Feng, B.3
-
5
-
-
0141923641
-
Identification and prediction of promiscuous aggregating inhibitors among known drugs
-
Seidler, J.; McGovern S.L.; Doman, T.N.; Shoichet, B.K. Identification and prediction of promiscuous aggregating inhibitors among known drugs. J. Med. Chem. 2003, 46, 4477-4486.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 4477-4486
-
-
Seidler, J.1
McGovern, S.L.2
Doman, T.N.3
Shoichet, B.K.4
-
6
-
-
0037431421
-
Kinase inhibitors: Not just for kinases anymore
-
McGovern, S.L.; Shoichet, B.K. Kinase inhibitors: not just for kinases anymore. J. Med. Chem. 2003, 46, 1478-1483.
-
(2003)
J. Med. Chem.
, vol.46
, pp. 1478-1483
-
-
McGovern, S.L.1
Shoichet, B.K.2
-
7
-
-
33645665186
-
Synergy and antagonism of promiscuous inhibition in multiple-compound mixtures
-
Feng, B.Y.; Shoichet, B.K. Synergy and antagonism of promiscuous inhibition in multiple-compound mixtures. J. Med. Chem. 2006, 49, 2151-2154.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 2151-2154
-
-
Feng, B.Y.1
Shoichet, B.K.2
-
8
-
-
33745188660
-
Screening in a spirit haunted world
-
Shoichet, B.K. Screening in a spirit haunted world. Drug Discov. Today 2006, 11, 607-615.
-
(2006)
Drug Discov. Today
, vol.11
, pp. 607-615
-
-
Shoichet, B.K.1
-
9
-
-
34249000046
-
A high-throughput screen for aggregation-based inhibition in a large compound library
-
Feng, B.Y.; Simeonov, A.; Jadhav, A.; Babaoglu, K.; Inglese, J.; Shoichet, B.K.; Austin, C.P. A high-throughput screen for aggregation-based inhibition in a large compound library. J. Med. Chem. 2007, 50, 2385-2390.
-
(2007)
J. Med. Chem.
, vol.50
, pp. 2385-2390
-
-
Feng, B.Y.1
Simeonov, A.2
Jadhav, A.3
Babaoglu, K.4
Inglese, J.5
Shoichet, B.K.6
Austin, C.P.7
-
10
-
-
0037011890
-
Development of a virtual screening method for identification of "Frequent Hitters. in compound libraries
-
Roche, O.; Schneider, P.; Zuegge, J.; Guba, W.; Kansy, M.; Alanine, A.; BLleicher, K.; Danel, F.; Gutknecht, E.; Rogers-Evans, M.; Neidhart, W.; Stalder, H.; Dillon, M.; Sjögren, E.; Fotouhi, N.; Gillespie, P.; Goodnow, R.; Harris, W.; Jones, P.; Taniguchi, M.; Tsujii, S.; von der Saal, W.; Zimmermann, G.; Schneider, G. Development of a virtual screening method for identification of "Frequent Hitters. in compound libraries. J. Med. Chem. 2002, 45, 137-142.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 137-142
-
-
Roche, O.1
Schneider, P.2
Zuegge, J.3
Guba, W.4
Kansy, M.5
Alanine, A.6
Blleicher, K.7
Danel, F.8
Gutknecht, E.9
Rogers-Evans, M.10
Neidhart, W.11
Stalder, H.12
Dillon, M.13
Sjögren, E.14
Fotouhi, N.15
Gillespie, P.16
Goodnow, R.17
Harris, W.18
Jones, P.19
Taniguchi, M.20
Tsujii, S.21
Von Der Saal, W.22
Zimmermann, G.23
Schneider, G.24
more..
-
11
-
-
49949151887
-
Molecular diversity in the context of leadlikeness: Compound properties that enable effective biochemical screening
-
Rishton, G. M. Molecular diversity in the context of leadlikeness: compound properties that enable effective biochemical screening. Curr. Opin. Chem. Biol. 2008, 12, 340-351.
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, pp. 340-351
-
-
Rishton, G.M.1
-
14
-
-
0015680655
-
Clustering Using a Similarity Measure Based on Shared Nearest Neighbors
-
Jarvis, R.A.; Patrick, E.A. Clustering Using a Similarity Measure Based on Shared Nearest Neighbors IEEE. Trans. Comput. 1973, 22, 1025-1034.
-
(1973)
IEEE. Trans. Comput.
, vol.22
, pp. 1025-1034
-
-
Jarvis, R.A.1
Patrick, E.A.2
-
15
-
-
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, 336, 572-584.
-
(1996)
J. Chem. Inf. Comput. Sci.
, vol.336
, pp. 572-584
-
-
Brown, R.D.1
Martin., Y.C.2
-
16
-
-
0000131605
-
Chemical Fragment Generation and Clustering Software
-
Barnard, J.M.; Downs, G.M. Chemical Fragment Generation and Clustering Software. J. Chem. Inf. Comput. Sci. 1997, 37, 141-142.
-
(1997)
J. Chem. Inf. Comput. Sci.
, vol.37
, pp. 141-142
-
-
Barnard, J.M.1
Downs, G.M.2
-
17
-
-
0036827075
-
Reoptimization of MDL Keys for Use in Drug Discovery
-
Durant, J.L.; Leland, B.A.; Henry, D.R.; Nourse, J.G. Reoptimization of MDL Keys for Use in Drug Discovery. J. Chem. Inf. Comput. Sci. 2002, 42, 1273-1280.
-
(2002)
J. Chem. Inf. Comput. Sci.
, vol.42
, pp. 1273-1280
-
-
Durant, J.L.1
Leland, B.A.2
Henry, D.R.3
Nourse, J.G.4
-
18
-
-
0037153217
-
A New Approach to finding natural chemical structure classes
-
Xu, J. A New Approach to finding natural chemical structure classes. J. Med. Chem. 2002, 45, 5311-5320.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 5311-5320
-
-
Xu, J.1
-
19
-
-
84855636966
-
-
Inc.Home Page accessed 31 May
-
Daylight Chemical Information Systems, Inc. Home Page. http://www.daylight.com/ (accessed 31 May 2010).
-
(2010)
Daylight Chemical Information Systems
-
-
-
20
-
-
0015680655
-
The Jarvis-Patrick algorithm - clustering, using a similarity measure based on nearest neighbors
-
Jarvis, R.A.; Patrick, E.A. The Jarvis-Patrick algorithm - clustering, using a similarity measure based on nearest neighbors. IEEE Trans. Comput. 1973, 22, 1025-1034.
-
(1973)
IEEE Trans. Comput.
, vol.22
, pp. 1025-1034
-
-
Jarvis, R.A.1
Patrick, E.A.2
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