A citation-based method for searching scientific literature

Maykel Cruz-Monteagudo, Stephan Schürer, Eduardo Tejera, Yunierkis Pérez-Castillo, José L Medina-Franco, Aminael Sánchez-Rodríguez, Fernanda Borges. Drug Discov Today 2017
Times Cited: 17







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



Times Cited
  Times     Co-cited
Similarity


Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking.
Michael M Mysinger, Michael Carchia, John J Irwin, Brian K Shoichet. J Med Chem 2012
908
29

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
29

DrugBank 5.0: a major update to the DrugBank database for 2018.
David S Wishart, Yannick D Feunang, An C Guo, Elvis J Lo, Ana Marcu, Jason R Grant, Tanvir Sajed, Daniel Johnson, Carin Li, Zinat Sayeeda,[...]. Nucleic Acids Res 2018
23

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility.
Garrett M Morris, Ruth Huey, William Lindstrom, Michel F Sanner, Richard K Belew, David S Goodsell, Arthur J Olson. J Comput Chem 2009
23

Feature selection based on mutual information: criteria of max-dependency, max-relevance, and min-redundancy.
Hanchuan Peng, Fuhui Long, Chris Ding. IEEE Trans Pattern Anal Mach Intell 2005
17

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
17

In-silico approaches to multi-target drug discovery : computer aided multi-target drug design, multi-target virtual screening.
Xiao Hua Ma, Zhe Shi, Chunyan Tan, Yuyang Jiang, Mei Lin Go, Boon Chuan Low, Yu Zong Chen. Pharm Res 2010
101
17

Extended-connectivity fingerprints.
David Rogers, Mathew Hahn. J Chem Inf Model 2010
17

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
Richard A Friesner, Jay L Banks, Robert B Murphy, Thomas A Halgren, Jasna J Klicic, Daniel T Mainz, Matthew P Repasky, Eric H Knoll, Mee Shelley, Jason K Perry,[...]. J Med Chem 2004
17

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
17

Machine learning in chemoinformatics and drug discovery.
Yu-Chen Lo, Stefano E Rensi, Wen Torng, Russ B Altman. Drug Discov Today 2018
279
17

Molecular de-novo design through deep reinforcement learning.
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen. J Cheminform 2017
260
17

Desirability-based multi-objective QSAR in drug discovery.
Maykel Cruz-Monteagudo, M Natalia D S Cordeiro, Eduardo Tejera, Elena Rosa Dominguez, Fernanda Borges. Mini Rev Med Chem 2012
11
18


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
86
11

Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation.
Denis Fourches, Eugene Muratov, Alexander Tropsha. J Chem Inf Model 2016
127
11


Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2AAdenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors.
Aliuska Morales Helguera, Yunierkis Perez-Castillo, M Natália D S Cordeiro, Eduardo Tejera, César Paz-Y-Miño, Aminael Sánchez-Rodríguez, Marta Teijeira, Evys Ancede-Gallardo, Fernando Cagide, Fernanda Borges,[...]. Curr Pharm Des 2016
9
22



Substructural fragments: an universal language to encode reactions, molecular and supramolecular structures.
A Varnek, D Fourches, F Hoonakker, V P Solov'ev. J Comput Aided Mol Des 2005
96
11

From flamingo dance to (desirable) drug discovery: a nature-inspired approach.
Aminael Sánchez-Rodríguez, Yunierkis Pérez-Castillo, Stephan C Schürer, Orazio Nicolotti, Giuseppe Felice Mangiatordi, Fernanda Borges, M Natalia D S Cordeiro, Eduardo Tejera, José L Medina-Franco, Maykel Cruz-Monteagudo. Drug Discov Today 2017
16
12


Complementary Approaches to Existing Target Based Drug Discovery for Identifying Novel Drug Targets.
Suhas Vasaikar, Pooja Bhatia, Partap G Bhatia, Koon Chu Yaiw. Biomedicines 2016
14
14

PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database.
Xia Wang, Yihang Shen, Shiwei Wang, Shiliang Li, Weilin Zhang, Xiaofeng Liu, Luhua Lai, Jianfeng Pei, Honglin Li. Nucleic Acids Res 2017
352
11

How many drug targets are there?
John P Overington, Bissan Al-Lazikani, Andrew L Hopkins. Nat Rev Drug Discov 2006
11

Proteochemometric modeling in a Bayesian framework.
Isidro Cortes-Ciriano, Gerard Jp van Westen, Eelke Bart Lenselink, Daniel S Murrell, Andreas Bender, Thérèse Malliavin. J Cheminform 2014
28
11

Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules.
Shunichi Takeda, Hiromasa Kaneko, Kimito Funatsu. J Chem Inf Model 2016
15
13



admetSAR: a comprehensive source and free tool for assessment of chemical ADMET properties.
Feixiong Cheng, Weihua Li, Yadi Zhou, Jie Shen, Zengrui Wu, Guixia Liu, Philip W Lee, Yun Tang. J Chem Inf Model 2012
715
11

ZINC 15--Ligand Discovery for Everyone.
Teague Sterling, John J Irwin. J Chem Inf Model 2015
11

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results.
Steven L Dixon, Alexander M Smondyrev, Eric H Knoll, Shashidhar N Rao, David E Shaw, Richard A Friesner. J Comput Aided Mol Des 2006
652
11


Development and validation of a genetic algorithm for flexible docking.
G Jones, P Willett, R C Glen, A R Leach, R Taylor. J Mol Biol 1997
11

Overview of Methods and Strategies for Conducting Virtual Small Molecule Screening.
Xavier Fradera, Kerim Babaoglu. Curr Protoc Chem Biol 2017
33
11

PubChem Substance and Compound databases.
Sunghwan Kim, Paul A Thiessen, Evan E Bolton, Jie Chen, Gang Fu, Asta Gindulyte, Lianyi Han, Jane He, Siqian He, Benjamin A Shoemaker,[...]. Nucleic Acids Res 2016
11




Comparison of shape-matching and docking as virtual screening tools.
Paul C D Hawkins, A Geoffrey Skillman, Anthony Nicholls. J Med Chem 2007
587
11

A detergent-based assay for the detection of promiscuous inhibitors.
Brian Y Feng, Brian K Shoichet. Nat Protoc 2006
325
11

Novel method for generating structure-based pharmacophores using energetic analysis.
Noeris K Salam, Roberto Nuti, Woody Sherman. J Chem Inf Model 2009
195
11

Virtual screening strategies in medicinal chemistry: the state of the art and current challenges.
Rodolpho C Braga, Vinicius M Alves, Arthur C Silva, Marilia N Nascimento, Flavia C Silva, Luciano M Liao, Carolina H Andrade. Curr Top Med Chem 2014
35
11

Transfer and Multi-task Learning in QSAR Modeling: Advances and Challenges.
Rodolfo S Simões, Vinicius G Maltarollo, Patricia R Oliveira, Kathia M Honorio. Front Pharmacol 2018
36
11

The rise of deep learning in drug discovery.
Hongming Chen, Ola Engkvist, Yinhai Wang, Marcus Olivecrona, Thomas Blaschke. Drug Discov Today 2018
436
11

A perspective on multi-target drug discovery and design for complex diseases.
Rona R Ramsay, Marija R Popovic-Nikolic, Katarina Nikolic, Elisa Uliassi, Maria Laura Bolognesi. Clin Transl Med 2018
279
11

In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.
Xian Liu, Yuan Xu, Shanshan Li, Yulan Wang, Jianlong Peng, Cheng Luo, Xiaomin Luo, Mingyue Zheng, Kaixian Chen, Hualiang Jiang. J Cheminform 2014
35
11

D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
Zied Gaieb, Shuai Liu, Symon Gathiaka, Michael Chiu, Huanwang Yang, Chenghua Shao, Victoria A Feher, W Patrick Walters, Bernd Kuhn, Markus G Rudolph,[...]. J Comput Aided Mol Des 2018
109
11

DNA-encoded chemistry: enabling the deeper sampling of chemical space.
Robert A Goodnow, Christoph E Dumelin, Anthony D Keefe. Nat Rev Drug Discov 2017
306
11


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.