A citation-based method for searching scientific literature

Maykel Cruz-Monteagudo, José L Medina-Franco, Yunierkis Pérez-Castillo, Orazio Nicolotti, M Natália D S Cordeiro, Fernanda Borges. Drug Discov Today 2014
Times Cited: 86







List of co-cited articles
513 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
24

Extended-connectivity fingerprints.
David Rogers, Mathew Hahn. J Chem Inf Model 2010
22

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
20

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
20


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
13


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

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
12

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
24

Activity cliffs: facts or artifacts?
José L Medina-Franco. Chem Biol Drug Des 2013
37
29

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
737
12



Activity landscape representations for structure-activity relationship analysis.
Anne Mai Wassermann, Mathias Wawer, Jürgen Bajorath. J Med Chem 2010
124
11

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

SAR index: quantifying the nature of structure-activity relationships.
Lisa Peltason, Jürgen Bajorath. J Med Chem 2007
118
10

Molecular similarity: a key technique in molecular informatics.
Andreas Bender, Robert C Glen. Org Biomol Chem 2004
347
9

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.
Jean-François Truchon, Christopher I Bayly. J Chem Inf Model 2007
473
9

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
898
9

ZINC: a free tool to discover chemistry for biology.
John J Irwin, Teague Sterling, Michael M Mysinger, Erin S Bolstad, Ryan G Coleman. J Chem Inf Model 2012
8

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
583
8

Relating protein pharmacology by ligand chemistry.
Michael J Keiser, Bryan L Roth, Blaine N Armbruster, Paul Ernsberger, John J Irwin, Brian K Shoichet. Nat Biotechnol 2007
8

In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window.
Alexios Koutsoukas, Robert Lowe, Yasaman Kalantarmotamedi, Hamse Y Mussa, Werner Klaffke, John B O Mitchell, Robert C Glen, Andreas Bender. J Chem Inf Model 2013
94
8

Navigating structure-activity landscapes.
Jürgen Bajorath, Lisa Peltason, Mathias Wawer, Rajarshi Guha, Michael S Lajiness, John H Van Drie. Drug Discov Today 2009
115
8

How to recognize and workaround pitfalls in QSAR studies: a critical review.
T Scior, J L Medina-Franco, Q-T Do, K Martínez-Mayorga, J A Yunes Rojas, P Bernard. Curr Med Chem 2009
91
8

Modeling of activity landscapes for drug discovery.
Jürgen Bajorath. Expert Opin Drug Discov 2012
33
21

Molecular similarity in medicinal chemistry.
Gerald Maggiora, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath. J Med Chem 2014
268
8

The ChEMBL database in 2017.
Anna Gaulton, Anne Hersey, Michał Nowotka, A Patrícia Bento, Jon Chambers, David Mendez, Prudence Mutowo, Francis Atkinson, Louisa J Bellis, Elena Cibrián-Uhalte,[...]. Nucleic Acids Res 2017
911
8


Combination of similarity rankings using data fusion.
Peter Willett. J Chem Inf Model 2013
69
8

The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.
Christoph Steinbeck, Yongquan Han, Stefan Kuhn, Oliver Horlacher, Edgar Luttmann, Egon Willighagen. J Chem Inf Comput Sci 2003
575
6

Shifting from the single to the multitarget paradigm in drug discovery.
José L Medina-Franco, Marc A Giulianotti, Gregory S Welmaker, Richard A Houghten. Drug Discov Today 2013
265
6


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
6


Advancing the activity cliff concept.
Ye Hu, Dagmar Stumpfe, Jürgen Bajorath. F1000Res 2013
48
12

Toward the computer-aided discovery of FabH inhibitors. Do predictive QSAR models ensure high quality virtual screening performance?
Yunierkis Pérez-Castillo, Maykel Cruz-Monteagudo, Cosmin Lazar, Jonatan Taminau, Mathy Froeyen, Miguel Angel Cabrera-Pérez, Ann Nowé. Mol Divers 2014
8
75

Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening.
Liying Zhang, Denis Fourches, Alexander Sedykh, Hao Zhu, Alexander Golbraikh, Sean Ekins, Julie Clark, Michele C Connelly, Martina Sigal, Dena Hodges,[...]. J Chem Inf Model 2013
57
10

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
311
6

Deep neural nets as a method for quantitative structure-activity relationships.
Junshui Ma, Robert P Sheridan, Andy Liaw, George E Dahl, Vladimir Svetnik. J Chem Inf Model 2015
355
6

Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.
Jaime Pérez-Villanueva, Oscar Méndez-Lucio, Olivia Soria-Arteche, José L Medina-Franco. Mol Divers 2015
16
37


Evolving Concept of Activity Cliffs.
Dagmar Stumpfe, Huabin Hu, Jürgen Bajorath. ACS Omega 2019
29
20

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
45
11

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


Recognizing pitfalls in virtual screening: a critical review.
Thomas Scior, Andreas Bender, Gary Tresadern, José L Medina-Franco, Karina Martínez-Mayorga, Thierry Langer, Karina Cuanalo-Contreras, Dimitris K Agrafiotis. J Chem Inf Model 2012
240
5

How similar are similarity searching methods? A principal component analysis of molecular descriptor space.
Andreas Bender, Jeremy L Jenkins, Josef Scheiber, Sai Chetan K Sukuru, Meir Glick, John W Davies. J Chem Inf Model 2009
187
5


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.