A citation-based method for searching scientific literature

Jürgen Bajorath. Expert Opin Drug Discov 2012
Times Cited: 33







List of co-cited articles
193 articles co-cited >1



Times Cited
  Times     Co-cited
Similarity




Exploring activity cliffs in medicinal chemistry.
Dagmar Stumpfe, Jürgen Bajorath. J Med Chem 2012
204
48

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.
Jose L Medina-Franco, Karina Martínez-Mayorga, Andreas Bender, Ray M Marín, Marc A Giulianotti, Clemencia Pinilla, Richard A Houghten. J Chem Inf Model 2009
106
42

Extended-connectivity fingerprints.
David Rogers, Mathew Hahn. J Chem Inf Model 2010
42

Towards a systematic characterization of the antiprotozoal activity landscape of benzimidazole derivatives.
Jaime Pérez-Villanueva, Radleigh Santos, Alicia Hernández-Campos, Marc A Giulianotti, Rafael Castillo, Jose L Medina-Franco. Bioorg Med Chem 2010
40
36

Consensus models of activity landscapes with multiple chemical, conformer, and property representations.
Austin B Yongye, Kendall Byler, Radleigh Santos, Karina Martínez-Mayorga, Gerald M Maggiora, José L Medina-Franco. J Chem Inf Model 2011
45
33

Activity landscape representations for structure-activity relationship analysis.
Anne Mai Wassermann, Mathias Wawer, Jürgen Bajorath. J Med Chem 2010
124
33


MMP-Cliffs: systematic identification of activity cliffs on the basis of matched molecular pairs.
Xiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath. J Chem Inf Model 2012
135
30


Prediction of activity cliffs using support vector machines.
Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath. J Chem Inf Model 2012
33
30

SAR index: quantifying the nature of structure-activity relationships.
Lisa Peltason, Jürgen Bajorath. J Med Chem 2007
118
30

Navigating structure-activity landscapes.
Jürgen Bajorath, Lisa Peltason, Mathias Wawer, Rajarshi Guha, Michael S Lajiness, John H Van Drie. Drug Discov Today 2009
115
27

Multitarget structure-activity relationships characterized by activity-difference maps and consensus similarity measure.
José L Medina-Franco, Austin B Yongye, Jaime Pérez-Villanueva, Richard A Houghten, Karina Martínez-Mayorga. J Chem Inf Model 2011
44
27

Exploring Structure-Activity Data Using the Landscape Paradigm.
Rajarshi Guha. Wiley Interdiscip Rev Comput Mol Sci 2012
892
27

Recent progress in understanding activity cliffs and their utility in medicinal chemistry.
Dagmar Stumpfe, Ye Hu, Dilyana Dimova, Jürgen Bajorath. J Med Chem 2014
124
27

From activity cliffs to target-specific scoring models and pharmacophore hypotheses.
Birte Seebeck, Markus Wagener, Matthias Rarey. ChemMedChem 2011
32
25

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.
Oscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo, José L Medina-Franco. Mol Inform 2012
23
34

Activity cliffs: facts or artifacts?
José L Medina-Franco. Chem Biol Drug Des 2013
38
24


Assessing how well a modeling protocol captures a structure-activity landscape.
Rajarshi Guha, John H Van Drie. J Chem Inf Model 2008
59
21


Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde?
Maykel Cruz-Monteagudo, José L Medina-Franco, Yunierkis Pérez-Castillo, Orazio Nicolotti, M Natália D S Cordeiro, Fernanda Borges. Drug Discov Today 2014
87
21

Design of multitarget activity landscapes that capture hierarchical activity cliff distributions.
Dilyana Dimova, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath. J Chem Inf Model 2011
37
18



Structure-activity relationship anatomy by network-like similarity graphs and local structure-activity relationship indices.
Mathias Wawer, Lisa Peltason, Nils Weskamp, Andreas Teckentrup, Jürgen Bajorath. J Med Chem 2008
108
18

Molecular similarity measures.
Gerald M Maggiora, Veerabahu Shanmugasundaram. Methods Mol Biol 2011
50
15

Expanding the medicinally relevant chemical space with compound libraries.
Fabian López-Vallejo, Marc A Giulianotti, Richard A Houghten, José L Medina-Franco. Drug Discov Today 2012
86
15

A similarity-based data-fusion approach to the visual characterization and comparison of compound databases.
José L Medina-Franco, Gerald M Maggiora, Marc A Giulianotti, Clemencia Pinilla, Richard A Houghten. Chem Biol Drug Des 2007
52
15

Activity landscape modeling of PPAR ligands with dual-activity difference maps.
Oscar Méndez-Lucio, Jaime Pérez-Villanueva, Rafael Castillo, José L Medina-Franco. Bioorg Med Chem 2012
12
41

Matched molecular pair analysis in drug discovery.
Alexander G Dossetter, Edward J Griffen, Andrew G Leach. Drug Discov Today 2013
70
15

Conditional probabilistic analysis for prediction of the activity landscape and relative compound activities.
Radleigh G Santos, Marc A Giulianotti, Richard A Houghten, José L Medina-Franco. J Chem Inf Model 2013
8
62

Activity Landscapes, Information Theory, and Structure - Activity Relationships.
Preeti Iyer, Dagmar Stumpfe, Martin Vogt, J Bajorath, G M Maggiora. Mol Inform 2013
18
27

ChEMBL: a large-scale bioactivity database for drug discovery.
Anna Gaulton, Louisa J Bellis, A Patricia Bento, Jon Chambers, Mark Davies, Anne Hersey, Yvonne Light, Shaun McGlinchey, David Michalovich, Bissan Al-Lazikani,[...]. Nucleic Acids Res 2012
15

Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository.
Narender Singh, Rajarshi Guha, Marc A Giulianotti, Clemencia Pinilla, Richard A Houghten, Jose L Medina-Franco. J Chem Inf Model 2009
94
12





Strategies for the use of mixture-based synthetic combinatorial libraries: scaffold ranking, direct testing in vivo, and enhanced deconvolution by computational methods.
Richard A Houghten, Clemencia Pinilla, Marc A Giulianotti, Jon R Appel, Colette T Dooley, Adel Nefzi, John M Ostresh, Yongping Yu, Gerald M Maggiora, Jose L Medina-Franco,[...]. J Comb Chem 2008
87
12

Why do we need so many chemical similarity search methods?
Robert P Sheridan, Simon K Kearsley. Drug Discov Today 2002
287
12

Classification of organic molecules by molecular quantum numbers.
Kong T Nguyen, Lorenz C Blum, Ruud van Deursen, Jean-Louis Reymond. ChemMedChem 2009
56
12

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments.
Madhavi Sastry, Jeffrey F Lowrie, Steven L Dixon, Woody Sherman. J Chem Inf Model 2010
206
12

Data structures and computational tools for the extraction of SAR information from large compound sets.
Mathias Wawer, Eugen Lounkine, Anne M Wassermann, Jürgen Bajorath. Drug Discov Today 2010
44
12


Visualization of molecular fingerprints.
John R Owen, Ian T Nabney, José L Medina-Franco, Fabian López-Vallejo. J Chem Inf Model 2011
35
12


From activity cliffs to activity ridges: informative data structures for SAR analysis.
Martin Vogt, Yun Huang, Jürgen Bajorath. J Chem Inf Model 2011
35
12


Co-cited is the co-citation frequency, indicating how many articles cite the article together with the query article. Similarity is the co-citation as percentage of the times cited of the query article or the article in the search results, whichever is the lowest. These numbers are calculated for the last 100 citations when articles are cited more than 100 times.