A citation-based method for searching scientific literature

Nathan Brown, Marco Fiscato, Marwin H S Segler, Alain C Vaucher. J Chem Inf Model 2019
Times Cited: 140







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



Times Cited
  Times     Co-cited
Similarity


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
67

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
59

Molecular de-novo design through deep reinforcement learning.
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen. J Cheminform 2017
260
50

Deep learning enables rapid identification of potent DDR1 kinase inhibitors.
Alex Zhavoronkov, Yan A Ivanenkov, Alex Aliper, Mark S Veselov, Vladimir A Aladinskiy, Anastasiya V Aladinskaya, Victor A Terentiev, Daniil A Polykovskiy, Maksim D Kuznetsov, Arip Asadulaev,[...]. Nat Biotechnol 2019
264
46

Deep reinforcement learning for de novo drug design.
Mariya Popova, Olexandr Isayev, Alexander Tropsha. Sci Adv 2018
281
42

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models.
Daniil Polykovskiy, Alexander Zhebrak, Benjamin Sanchez-Lengeling, Sergey Golovanov, Oktai Tatanov, Stanislav Belyaev, Rauf Kurbanov, Aleksey Artamonov, Vladimir Aladinskiy, Mark Veselov,[...]. Front Pharmacol 2020
67
55


Generative Recurrent Networks for De Novo Drug Design.
Anvita Gupta, Alex T Müller, Berend J H Huisman, Jens A Fuchs, Petra Schneider, Gisbert Schneider. Mol Inform 2018
149
26

De Novo Design of Bioactive Small Molecules by Artificial Intelligence.
Daniel Merk, Lukas Friedrich, Francesca Grisoni, Gisbert Schneider. Mol Inform 2018
123
25

Extended-connectivity fingerprints.
David Rogers, Mathew Hahn. J Chem Inf Model 2010
25

ZINC 15--Ligand Discovery for Everyone.
Teague Sterling, John J Irwin. J Chem Inf Model 2015
22


Fréchet ChemNet Distance: A Metric for Generative Models for Molecules in Drug Discovery.
Kristina Preuer, Philipp Renz, Thomas Unterthiner, Sepp Hochreiter, Günter Klambauer. J Chem Inf Model 2018
58
37

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
21

Molecular generative model based on conditional variational autoencoder for de novo molecular design.
Jaechang Lim, Seongok Ryu, Jin Woo Kim, Woo Youn Kim. J Cheminform 2018
78
26

Long short-term memory.
S Hochreiter, J Schmidhuber. Neural Comput 1997
21

Optimization of Molecules via Deep Reinforcement Learning.
Zhenpeng Zhou, Steven Kearnes, Li Li, Richard N Zare, Patrick Riley. Sci Rep 2019
88
23

Efficient multi-objective molecular optimization in a continuous latent space.
Robin Winter, Floriane Montanari, Andreas Steffen, Hans Briem, Frank Noé, Djork-Arné Clevert. Chem Sci 2019
60
35

The Synthesizability of Molecules Proposed by Generative Models.
Wenhao Gao, Connor W Coley. J Chem Inf Model 2020
59
35

Computer-based de novo design of drug-like molecules.
Gisbert Schneider, Uli Fechner. Nat Rev Drug Discov 2005
463
20

Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design.
Niclas Ståhl, Göran Falkman, Alexander Karlsson, Gunnar Mathiason, Jonas Boström. J Chem Inf Model 2019
50
40

Quantifying the chemical beauty of drugs.
G Richard Bickerton, Gaia V Paolini, Jérémy Besnard, Sorel Muresan, Andrew L Hopkins. Nat Chem 2012
505
20

Planning chemical syntheses with deep neural networks and symbolic AI.
Marwin H S Segler, Mike Preuss, Mark P Waller. Nature 2018
421
19


A de novo molecular generation method using latent vector based generative adversarial network.
Oleksii Prykhodko, Simon Viet Johansson, Panagiotis-Christos Kotsias, Josep Arús-Pous, Esben Jannik Bjerrum, Ola Engkvist, Hongming Chen. J Cheminform 2019
64
29

Application of Generative Autoencoder in De Novo Molecular Design.
Thomas Blaschke, Marcus Olivecrona, Ola Engkvist, Jürgen Bajorath, Hongming Chen. Mol Inform 2018
146
19

Multi-objective de novo drug design with conditional graph generative model.
Yibo Li, Liangren Zhang, Zhenming Liu. J Cheminform 2018
78
24

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


MoleculeNet: a benchmark for molecular machine learning.
Zhenqin Wu, Bharath Ramsundar, Evan N Feinberg, Joseph Gomes, Caleb Geniesse, Aneesh S Pappu, Karl Leswing, Vijay Pande. Chem Sci 2017
426
17

Deep learning.
Yann LeCun, Yoshua Bengio, Geoffrey Hinton. Nature 2015
17

SCScore: Synthetic Complexity Learned from a Reaction Corpus.
Connor W Coley, Luke Rogers, William H Green, Klavs F Jensen. J Chem Inf Model 2018
71
23


Shape-Based Generative Modeling for de Novo Drug Design.
Miha Skalic, José Jiménez, Davide Sabbadin, Gianni De Fabritiis. J Chem Inf Model 2019
59
28

Assessing the impact of generative AI on medicinal chemistry.
W Patrick Walters, Mark Murcko. Nat Biotechnol 2020
47
36

Enumeration of 166 billion organic small molecules in the chemical universe database GDB-17.
Lars Ruddigkeit, Ruud van Deursen, Lorenz C Blum, Jean-Louis Reymond. J Chem Inf Model 2012
395
16

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
16

Reinforced Adversarial Neural Computer for de Novo Molecular Design.
Evgeny Putin, Arip Asadulaev, Yan Ivanenkov, Vladimir Aladinskiy, Benjamin Sanchez-Lengeling, Alán Aspuru-Guzik, Alex Zhavoronkov. J Chem Inf Model 2018
112
16

De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.
Boris Sattarov, Igor I Baskin, Dragos Horvath, Gilles Marcou, Esben Jannik Bjerrum, Alexandre Varnek. J Chem Inf Model 2019
47
34

Rethinking drug design in the artificial intelligence era.
Petra Schneider, W Patrick Walters, Alleyn T Plowright, Norman Sieroka, Jennifer Listgarten, Robert A Goodnow, Jasmin Fisher, Johanna M Jansen, José S Duca, Thomas S Rush,[...]. Nat Rev Drug Discov 2020
146
16

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
16

SMILES-based deep generative scaffold decorator for de-novo drug design.
Josep Arús-Pous, Atanas Patronov, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist. J Cheminform 2020
37
43

A Deep Learning Approach to Antibiotic Discovery.
Jonathan M Stokes, Kevin Yang, Kyle Swanson, Wengong Jin, Andres Cubillos-Ruiz, Nina M Donghia, Craig R MacNair, Shawn French, Lindsey A Carfrae, Zohar Bloom-Ackermann,[...]. Cell 2020
344
16

De novo generation of hit-like molecules from gene expression signatures using artificial intelligence.
Oscar Méndez-Lucio, Benoit Baillif, Djork-Arné Clevert, David Rouquié, Joerg Wichard. Nat Commun 2020
86
18

REINVENT 2.0: An AI Tool for De Novo Drug Design.
Thomas Blaschke, Josep Arús-Pous, Hongming Chen, Christian Margreitter, Christian Tyrchan, Ola Engkvist, Kostas Papadopoulos, Atanas Patronov. J Chem Inf Model 2020
41
39

ChEMBL: towards direct deposition of bioassay data.
David Mendez, Anna Gaulton, A Patrícia Bento, Jon Chambers, Marleen De Veij, Eloy Félix, María Paula Magariños, Juan F Mosquera, Prudence Mutowo, Michal Nowotka,[...]. Nucleic Acids Res 2019
424
15

On failure modes in molecule generation and optimization.
Philipp Renz, Dries Van Rompaey, Jörg Kurt Wegner, Sepp Hochreiter, Günter Klambauer. Drug Discov Today Technol 2019
20
75

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
14

Randomized SMILES strings improve the quality of molecular generative models.
Josep Arús-Pous, Simon Viet Johansson, Oleksii Prykhodko, Esben Jannik Bjerrum, Christian Tyrchan, Jean-Louis Reymond, Hongming Chen, Ola Engkvist. J Cheminform 2019
56
25

Adversarial Threshold Neural Computer for Molecular de Novo Design.
Evgeny Putin, Arip Asadulaev, Quentin Vanhaelen, Yan Ivanenkov, Anastasia V Aladinskaya, Alex Aliper, Alex Zhavoronkov. Mol Pharm 2018
68
20


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.