A citation-based method for searching scientific literature

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
Times Cited: 16







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



Times Cited
  Times     Co-cited
Similarity


Multi-objective optimization methods in drug design.
Christos A Nicolaou, Nathan Brown. Drug Discov Today Technol 2013
66
43

Applications of machine learning in drug discovery and development.
Jessica Vamathevan, Dominic Clark, Paul Czodrowski, Ian Dunham, Edgardo Ferran, George Lee, Bin Li, Anant Madabhushi, Parantu Shah, Michaela Spitzer,[...]. Nat Rev Drug Discov 2019
401
31

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
25

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
25


Deep reinforcement learning for de novo drug design.
Mariya Popova, Olexandr Isayev, Alexander Tropsha. Sci Adv 2018
281
25

GuacaMol: Benchmarking Models for de Novo Molecular Design.
Nathan Brown, Marco Fiscato, Marwin H S Segler, Alain C Vaucher. J Chem Inf Model 2019
140
25

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
18

Comparison of different approaches to define the applicability domain of QSAR models.
Faizan Sahigara, Kamel Mansouri, Davide Ballabio, Andrea Mauri, Viviana Consonni, Roberto Todeschini. Molecules 2012
202
18

Computer-based de novo design of drug-like molecules.
Gisbert Schneider, Uli Fechner. Nat Rev Drug Discov 2005
463
18

Molecular graph convolutions: moving beyond fingerprints.
Steven Kearnes, Kevin McCloskey, Marc Berndl, Vijay Pande, Patrick Riley. J Comput Aided Mol Des 2016
367
18

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models.
Pravin Ambure, Amit Kumar Halder, Humbert González Díaz, M Natália D S Cordeiro. J Chem Inf Model 2019
29
18

The rise of deep learning in drug discovery.
Hongming Chen, Ola Engkvist, Yinhai Wang, Marcus Olivecrona, Thomas Blaschke. Drug Discov Today 2018
436
18

Planning chemical syntheses with deep neural networks and symbolic AI.
Marwin H S Segler, Mike Preuss, Mark P Waller. Nature 2018
421
18

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
18

Quantifying the chemical beauty of drugs.
G Richard Bickerton, Gaia V Paolini, Jérémy Besnard, Sorel Muresan, Andrew L Hopkins. Nat Chem 2012
505
18

The Advent of Generative Chemistry.
Quentin Vanhaelen, Yen-Chu Lin, Alex Zhavoronkov. ACS Med Chem Lett 2020
20
18

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
Rafael Gómez-Bombarelli, Jennifer N Wei, David Duvenaud, José Miguel Hernández-Lobato, Benjamín Sánchez-Lengeling, Dennis Sheberla, Jorge Aguilera-Iparraguirre, Timothy D Hirzel, Ryan P Adams, Alán Aspuru-Guzik. ACS Cent Sci 2018
611
18

Molecular de-novo design through deep reinforcement learning.
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen. J Cheminform 2017
260
18

De Novo Design of Bioactive Small Molecules by Artificial Intelligence.
Daniel Merk, Lukas Friedrich, Francesca Grisoni, Gisbert Schneider. Mol Inform 2018
123
18

Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks.
Marwin H S Segler, Thierry Kogej, Christian Tyrchan, Mark P Waller. ACS Cent Sci 2018
373
18


Machine learning in chemoinformatics and drug discovery.
Yu-Chen Lo, Stefano E Rensi, Wen Torng, Russ B Altman. Drug Discov Today 2018
279
18


Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery.
Francesco Gentile, Vibudh Agrawal, Michael Hsing, Anh-Tien Ton, Fuqiang Ban, Ulf Norinder, Martin E Gleave, Artem Cherkasov. ACS Cent Sci 2020
63
18

Structural characterization of the human androgen receptor ligand-binding domain complexed with EM5744, a rationally designed steroidal ligand bearing a bulky chain directed toward helix 12.
Line Cantin, Frédérick Faucher, Jean-François Couture, Karine Pereira de Jésus-Tran, Pierre Legrand, Liviu C Ciobanu, Yvon Fréchette, Richard Labrecque, Shankar Mohan Singh, Fernand Labrie,[...]. J Biol Chem 2007
42
12

Improving quantitative structure-activity relationships through multiobjective optimization.
Orazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, Angelo Carotti. J Chem Inf Model 2009
40
12

Development and Validation of a Computational Model for Androgen Receptor Activity.
Nicole C Kleinstreuer, Patricia Ceger, Eric D Watt, Matthew Martin, Keith Houck, Patience Browne, Russell S Thomas, Warren M Casey, David J Dix, David Allen,[...]. Chem Res Toxicol 2017
100
12

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes.
Andrea Gissi, Domenico Gadaleta, Matteo Floris, Stefania Olla, Angelo Carotti, Ettore Novellino, Emilio Benfenati, Orazio Nicolotti. ALTEX 2014
37
12

CERAPP: Collaborative Estrogen Receptor Activity Prediction Project.
Kamel Mansouri, Ahmed Abdelaziz, Aleksandra Rybacka, Alessandra Roncaglioni, Alexander Tropsha, Alexandre Varnek, Alexey Zakharov, Andrew Worth, Ann M Richard, Christopher M Grulke,[...]. Environ Health Perspect 2016
170
12

In Silico Prediction of Cytochrome P450-Drug Interaction: QSARs for CYP3A4 and CYP2C9.
Serena Nembri, Francesca Grisoni, Viviana Consonni, Roberto Todeschini. Int J Mol Sci 2016
33
12

Endocrine disruptome--an open source prediction tool for assessing endocrine disruption potential through nuclear receptor binding.
Katra Kolšek, Janez Mavri, Marija Sollner Dolenc, Stanislav Gobec, Samo Turk. J Chem Inf Model 2014
68
12

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
12

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data.
Daniela Trisciuzzi, Domenico Alberga, Kamel Mansouri, Richard Judson, Saverio Cellamare, Marco Catto, Angelo Carotti, Emilio Benfenati, Ettore Novellino, Giuseppe Felice Mangiatordi,[...]. Future Med Chem 2015
18
12

REACH and in silico methods: an attractive opportunity for medicinal chemists.
Orazio Nicolotti, Emilio Benfenati, Angelo Carotti, Domenico Gadaleta, Andrea Gissi, Giuseppe Felice Mangiatordi, Ettore Novellino. Drug Discov Today 2014
34
12

An effective docking strategy for virtual screening based on multi-objective optimization algorithm.
Honglin Li, Hailei Zhang, Mingyue Zheng, Jie Luo, Ling Kang, Xiaofeng Liu, Xicheng Wang, Hualiang Jiang. BMC Bioinformatics 2009
21
12

An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors.
Orazio Nicolotti, Teresa Fabiola Miscioscia, Andrea Carotti, Francesco Leonetti, Angelo Carotti. J Chem Inf Model 2008
35
12

Pre-docking filter for protein and ligand 3D structures.
Alisa Wilantho, Sissades Tongsima, Ekachai Jenwitheesuk. Bioinformation 2008
3
66

Improving the human hazard characterization of chemicals: a Tox21 update.
Raymond R Tice, Christopher P Austin, Robert J Kavlock, John R Bucher. Environ Health Perspect 2013
335
12


Systemic QSAR and phenotypic virtual screening: chasing butterflies in drug discovery.
Maykel Cruz-Monteagudo, Stephan Schürer, Eduardo Tejera, Yunierkis Pérez-Castillo, José L Medina-Franco, Aminael Sánchez-Rodríguez, Fernanda Borges. Drug Discov Today 2017
17
12

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
12

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
12

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
12


Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery.
Jaak Simm, Günter Klambauer, Adam Arany, Marvin Steijaert, Jörg Kurt Wegner, Emmanuel Gustin, Vladimir Chupakhin, Yolanda T Chong, Jorge Vialard, Peter Buijnsters,[...]. Cell Chem Biol 2018
77
12

Automating drug discovery.
Gisbert Schneider. Nat Rev Drug Discov 2018
204
12

Deep Learning in Drug Discovery.
Erik Gawehn, Jan A Hiss, Gisbert Schneider. Mol Inform 2016
233
12

De Novo Design at the Edge of Chaos.
Petra Schneider, Gisbert Schneider. J Med Chem 2016
71
12

Virtual screening of chemical libraries.
Brian K Shoichet. Nature 2004
786
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.