A citation-based method for searching scientific literature

Rajarshi Guha, John H Van Drie. J Chem Inf Model 2008
Times Cited: 189







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



Times Cited
  Times     Co-cited
Similarity



Extended-connectivity fingerprints.
David Rogers, Mathew Hahn. J Chem Inf Model 2010
33

SAR index: quantifying the nature of structure-activity relationships.
Lisa Peltason, Jürgen Bajorath. J Med Chem 2007
118
25

Exploring activity cliffs in medicinal chemistry.
Dagmar Stumpfe, Jürgen Bajorath. J Med Chem 2012
204
24

Navigating structure-activity landscapes.
Jürgen Bajorath, Lisa Peltason, Mathias Wawer, Rajarshi Guha, Michael S Lajiness, John H Van Drie. Drug Discov Today 2009
115
21

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
21

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
19

Activity landscape representations for structure-activity relationship analysis.
Anne Mai Wassermann, Mathias Wawer, Jürgen Bajorath. J Med Chem 2010
124
18

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
17

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
35

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
15



Modeling of activity landscapes for drug discovery.
Jürgen Bajorath. Expert Opin Drug Discov 2012
33
45

From activity cliffs to target-specific scoring models and pharmacophore hypotheses.
Birte Seebeck, Markus Wagener, Matthias Rarey. ChemMedChem 2011
32
43

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
14

DataWarrior: an open-source program for chemistry aware data visualization and analysis.
Thomas Sander, Joel Freyss, Modest von Korff, Christian Rufener. J Chem Inf Model 2015
517
14

Assessing how well a modeling protocol captures a structure-activity landscape.
Rajarshi Guha, John H Van Drie. J Chem Inf Model 2008
59
22



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
52

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
13

QSAR modeling: where have you been? Where are you going to?
Artem Cherkasov, Eugene N Muratov, Denis Fourches, Alexandre Varnek, Igor I Baskin, Mark Cronin, John Dearden, Paola Gramatica, Yvonne C Martin, Roberto Todeschini,[...]. J Med Chem 2014
751
12


Exploring Structure-Activity Data Using the Landscape Paradigm.
Rajarshi Guha. Wiley Interdiscip Rev Comput Mol Sci 2012
892
10

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
24


The Protein Data Bank.
H M Berman, J Westbrook, Z Feng, G Gilliland, T N Bhat, H Weissig, I N Shindyalov, P E Bourne. Nucleic Acids Res 2000
9

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
22

Prediction of activity cliffs using support vector machines.
Kathrin Heikamp, Xiaoying Hu, Aixia Yan, Jürgen Bajorath. J Chem Inf Model 2012
33
27

Reoptimization of MDL keys for use in drug discovery.
Joseph L Durant, Burton A Leland, Douglas R Henry, James G Nourse. J Chem Inf Comput Sci 2002
590
9

Activity cliffs: facts or artifacts?
José L Medina-Franco. Chem Biol Drug Des 2013
38
23



From activity cliffs to activity ridges: informative data structures for SAR analysis.
Martin Vogt, Yun Huang, Jürgen Bajorath. J Chem Inf Model 2011
35
22


Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.
George Papadatos, Muhammad Alkarouri, Valerie J Gillet, Peter Willett, Visakan Kadirkamanathan, Christopher N Luscombe, Gianpaolo Bravi, Nicola J Richmond, Stephen D Pickett, Jameed Hussain,[...]. J Chem Inf Model 2010
77
10

Matched molecular pairs as a medicinal chemistry tool.
Ed Griffen, Andrew G Leach, Graeme R Robb, Daniel J Warner. J Med Chem 2011
160
8


Molecular similarity in medicinal chemistry.
Gerald Maggiora, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath. J Med Chem 2014
269
8

Beware of q2!
Alexander Golbraikh, Alexander Tropsha. J Mol Graph Model 2002
7

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities.
Tiqing Liu, Yuhmei Lin, Xin Wen, Robert N Jorissen, Michael K Gilson. Nucleic Acids Res 2007
992
7

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
15

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
15

The ChEMBL bioactivity database: an update.
A Patrícia Bento, Anna Gaulton, Anne Hersey, Louisa J Bellis, Jon Chambers, Mark Davies, Felix A Krüger, Yvonne Light, Lora Mak, Shaun McGlinchey,[...]. Nucleic Acids Res 2014
903
7

Elucidation of structure-activity relationship pathways in biological screening data.
Mathias Wawer, Lisa Peltason, Jürgen Bajorath. J Med Chem 2009
23
26

QSAR applicabilty domain estimation by projection of the training set descriptor space: a review.
Joanna Jaworska, Nina Nikolova-Jeliazkova, Tom Aldenberg. Altern Lab Anim 2005
313
6


Systematic identification and classification of three-dimensional activity cliffs.
Ye Hu, Norbert Furtmann, Michael Gütschow, Jürgen Bajorath. J Chem Inf Model 2012
23
26

Do structurally similar molecules have similar biological activity?
Yvonne C Martin, James L Kofron, Linda M Traphagen. J Med Chem 2002
498
6


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.