-
1
-
-
84876534437
-
ChemProt-2.0: Visual navigation in a disease chemical biology database
-
Kim Kjærulff,S., Wich,L., Kringelum,J. et al. (2013) ChemProt-2.0: visual navigation in a disease chemical biology database. Nucleic Acids Res., 41, D464-D469.
-
(2013)
Nucleic Acids Res.
, vol.41
-
-
Kim Kjærulff, S.1
Wich, L.2
Kringelum, J.3
-
2
-
-
84862192766
-
ChEMBL: A large-scale bioactivity database for drug discovery
-
Gaulton,A., Bellis,L.J., Bento,A.P. et al. (2012) ChEMBL: a large-scale bioactivity database for drug discovery. Nucleic Acids Res., 40, D1100-D1107.
-
(2012)
Nucleic Acids Res.
, vol.40
-
-
Gaulton, A.1
Bellis, L.J.2
Bento, A.P.3
-
3
-
-
78651303897
-
IUPHAR-DB: New receptors and tools for easy searching and visualization of pharmacological data
-
Sharman,J.L., Mpamhanga,C.P., Spedding,M. et al. (2011) IUPHAR-DB: new receptors and tools for easy searching and visualization of pharmacological data. Nucleic. Acids Res., 39, D534-D538.
-
(2011)
Nucleic. Acids Res.
, vol.39
-
-
Sharman, J.L.1
Mpamhanga, C.P.2
Spedding, M.3
-
4
-
-
0033861845
-
The Multiplicity of Serotonin Receptors: Uselessly Diverse Molecules or an Embarrassment of Riches?
-
Roth,B.L., Lopez,E., Patel,S. et al. (2000) The Multiplicity of Serotonin Receptors: Uselessly Diverse Molecules or an Embarrassment of Riches? Neuroscientist, 6, 252-262.
-
(2000)
Neuroscientist
, vol.6
, pp. 252-262
-
-
Roth, B.L.1
Lopez, E.2
Patel, S.3
-
5
-
-
54949108677
-
PubChem: Integrated platform of small molecules and biological activities
-
Bolton,E.E., Wang,Y., Thiessen,P.A. et al. (2008) PubChem: integrated platform of small molecules and biological activities. Ann. Rep. Comput. Chem., 4, 217-241.
-
(2008)
Ann. Rep. Comput. Chem.
, vol.4
, pp. 217-241
-
-
Bolton, E.E.1
Wang, Y.2
Thiessen, P.A.3
-
6
-
-
84878771632
-
WOMBAT and WOMBAT-PK: Bioactivity databases for lead and drug discovery
-
Schreiber,S.L., Kapoor,T.M. and Wess,G. (eds), Wiley-VCH Verlag GmbH, Weinheim, Germany
-
Olah,M., Rad,R., Ostopovici,L. et al. (2008) WOMBAT and WOMBAT-PK: bioactivity databases for lead and drug discovery. In: Schreiber,S.L., Kapoor,T.M. and Wess,G. (eds), Chemical Biology: From Small Molecules to Systems Biology and Drug Design. Wiley-VCH Verlag GmbH, Weinheim, Germany, pp. 760-786.
-
(2008)
Chemical Biology: From Small Molecules to Systems Biology and Drug Design
, pp. 760-786
-
-
Olah, M.1
Rad, R.2
Ostopovici, L.3
-
7
-
-
0024664539
-
SMILES 2. Algorithm for generation of unique SMILES notation
-
Weininger,D., Weininger,A. and Weininger,J.L. (1989) SMILES 2. Algorithm for generation of unique SMILES notation. J. Chem. Inf. Comput. Sci., 29, 97-101.
-
(1989)
J. Chem. Inf. Comput. Sci.
, vol.29
, pp. 97-101
-
-
Weininger, D.1
Weininger, A.2
Weininger, J.L.3
-
8
-
-
84857570176
-
Analysis of commercial and public bioactivity databases
-
Tiikkainen,P. and Franke,L. (2012) Analysis of commercial and public bioactivity databases. J Chem. Inf. Model., 52, 319-326.
-
(2012)
J Chem. Inf. Model.
, vol.52
, pp. 319-326
-
-
Tiikkainen, P.1
Franke, L.2
-
9
-
-
18244365837
-
HierS: Hierarchical scaffold clustering using topological chemical graphs
-
Wilkens,S.J., Janes,J. and Su,A.I. (2005) HierS: hierarchical scaffold clustering using topological chemical graphs. J. Med. Chem., 48, 3182-3193.
-
(2005)
J. Med. Chem.
, vol.48
, pp. 3182-3193
-
-
Wilkens, S.J.1
Janes, J.2
Su, A.I.3
-
10
-
-
0029894013
-
The properties of known drugs. 1. Molecular frameworks
-
Bemis,G.W. and Murcko,M. A. (1996) The properties of known drugs. 1. molecular frameworks. J. Med. Chem., 39, 2887-2893.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 2887-2893
-
-
Bemis, G.W.1
Murcko, M.A.2
-
11
-
-
0036448558
-
RASCAL: Calculation of graph similarity using maximum common edge subgraphs
-
Raymond,J.W., Gardiner,E.J. and Willett,P. (2002) RASCAL: calculation of graph similarity using maximum common edge subgraphs. Comput. J., 45, 631-644.
-
(2002)
Comput. J.
, vol.45
, pp. 631-644
-
-
Raymond, J.W.1
Gardiner, E.J.2
Willett, P.3
-
12
-
-
33244456816
-
Molecular transformations as a way of finding and exploiting consistent local QSAR
-
Sheridan,R.P., Hunt,P. and Culberson,J.C. (2005) Molecular transformations as a way of finding and exploiting consistent local QSAR. J. Chem. Inf. Model., 46, 180-192.
-
(2005)
J. Chem. Inf. Model.
, vol.46
, pp. 180-192
-
-
Sheridan, R.P.1
Hunt, P.2
Culberson, J.C.3
-
13
-
-
20444410051
-
Database clustering with a combination of fingerprint and maximum common substructure methods
-
Stahl,M. and Mauser,H. (2005) Database clustering with a combination of fingerprint and maximum common substructure methods. J. Chem. Inf. Model., 45, 542-548.
-
(2005)
J. Chem. Inf. Model.
, vol.45
, pp. 542-548
-
-
Stahl, M.1
Mauser, H.2
-
14
-
-
34247257243
-
Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs
-
Gardiner,E.J., Gillet,V.J., Willett,P. et al. (2007) Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs. J. Chem. Inf. Model., 47, 354-366.
-
(2007)
J. Chem. Inf. Model.
, vol.47
, pp. 354-366
-
-
Gardiner, E.J.1
Gillet, V.J.2
Willett, P.3
-
15
-
-
57549105281
-
Toward an improved clustering of large data sets using maximum common substructures and topological fingerprints
-
Boücker,A. (2008) Toward an improved clustering of large data sets using maximum common substructures and topological fingerprints. J. Chem. Inf. Model., 48, 2097-2107.
-
(2008)
J. Chem. Inf. Model.
, vol.48
, pp. 2097-2107
-
-
Boücker, A.1
-
16
-
-
79955388687
-
MultiMCS: A fast algorithm for the maximum common substructure problem on multiple molecules
-
Hariharan,R., Janakiraman,A., Nilakantan,R. et al. (2011) MultiMCS: a fast algorithm for the maximum common substructure problem on multiple molecules. J. Chem. Inf. Model., 51, 788-806.
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 788-806
-
-
Hariharan, R.1
Janakiraman, A.2
Nilakantan, R.3
-
17
-
-
84866344565
-
Symmetric Kv1.5 blockers discovered by focused screening
-
Boström,J. (2012) Symmetric Kv1.5 blockers discovered by focused screening. ACS Med. Chem. Lett, 3, 769-773.
-
(2012)
ACS Med. Chem. Lett
, vol.3
, pp. 769-773
-
-
Boström, J.1
-
18
-
-
84860833500
-
Reorganizing the protein space at the Universal Protein Resource (UniProt)
-
The UniProt Consortium
-
The UniProt Consortium. (2012) Reorganizing the protein space at the Universal Protein Resource (UniProt). Nucleic Acids Res., 40, D71-D75.
-
(2012)
Nucleic Acids Res.
, vol.40
-
-
-
20
-
-
84876350392
-
IUPHAR-DB: Updated database content and new features
-
Sharman,J.L., Benson,H.E., Pawson,A.J. et al. (2013) IUPHAR-DB: updated database content and new features. Nucleic Acids Res., 41, D1083-D1088.
-
(2013)
Nucleic Acids Res.
, vol.41
-
-
Sharman, J.L.1
Benson, H.E.2
Pawson, A.J.3
-
21
-
-
8444225024
-
NIH molecular libraries initiative
-
Austin,C.P., Brady,L.S., Insel,T.R. et al. (2004) NIH molecular libraries initiative. Science, 306, 1138-1139.
-
(2004)
Science
, vol.306
, pp. 1138-1139
-
-
Austin, C.P.1
Brady, L.S.2
Insel, T.R.3
-
22
-
-
79958831734
-
Associating drugs, targets and clinical outcomes into an integrated network affords a new platform for computer-aided drug repurposing
-
Oprea,T.I., Nielsen,S.K., Ursu,O. et al. (2011) Associating drugs, targets and clinical outcomes into an integrated network affords a new platform for computer-aided drug repurposing. Mol. Inf., 30, 100-111.
-
(2011)
Mol. Inf.
, vol.30
, pp. 100-111
-
-
Oprea, T.I.1
Nielsen, S.K.2
Ursu, O.3
-
23
-
-
84873844510
-
A chemogenomic analysis of ionization constants - Implications for drug discovery
-
Manallack,D.T., Prankerd,R.J., Nassta,G.C. et al. (2013) A chemogenomic analysis of ionization constants - implications for drug discovery. Chem. Med. Chem., 8, 242-255.
-
(2013)
Chem. Med. Chem.
, vol.8
, pp. 242-255
-
-
Manallack, D.T.1
Prankerd, R.J.2
Nassta, G.C.3
-
24
-
-
0242490780
-
Cytoscape: A software environment for integrated models of biomolecular interaction networks
-
Shannon,P., Markiel,A., Ozier,O. et al. (2003) Cytoscape: a software environment for integrated models of biomolecular interaction networks. Genome Res., 13, 2498-2504.
-
(2003)
Genome Res.
, vol.13
, pp. 2498-2504
-
-
Shannon, P.1
Markiel, A.2
Ozier, O.3
|