A citation-based method for searching scientific literature

David Rogers, Mathew Hahn. J Chem Inf Model 2010
Times Cited: 1978







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



Times Cited
  Times     Co-cited
Similarity


Criteria for the Research Institute for Fragrance Materials, Inc. (RIFM) safety evaluation process for fragrance ingredients.
A M Api, D Belsito, M Bruze, P Cadby, P Calow, M L Dagli, W Dekant, G Ellis, A D Fryer, M Fukayama,[...]. Food Chem Toxicol 2015
810
28

Integrating habits and practices data for soaps, cosmetics and air care products into an existing aggregate exposure model.
D Comiskey, A M Api, C Barrett, G Ellis, C McNamara, C O'Mahony, S H Robison, J Rose, B Safford, B Smith,[...]. Regul Toxicol Pharmacol 2017
696
28

An in silico skin absorption model for fragrance materials.
Jie Shen, Lambros Kromidas, Terry Schultz, Sneha Bhatia. Food Chem Toxicol 2014
570
28

Use of an aggregate exposure model to estimate consumer exposure to fragrance ingredients in personal care and cosmetic products.
B Safford, A M Api, C Barratt, D Comiskey, E J Daly, G Ellis, C McNamara, C O'Mahony, S Robison, B Smith,[...]. Regul Toxicol Pharmacol 2015
772
28


Novel database for exposure to fragrance ingredients in cosmetics and personal care products.
D Comiskey, A M Api, C Barratt, E J Daly, G Ellis, C McNamara, C O'Mahony, S H Robison, B Safford, B Smith,[...]. Regul Toxicol Pharmacol 2015
778
28

Application of the expanded Creme RIFM consumer exposure model to fragrance ingredients in cosmetic, personal care and air care products.
B Safford, A M Api, C Barratt, D Comiskey, G Ellis, C McNamara, C O'Mahony, S Robison, J Rose, B Smith,[...]. Regul Toxicol Pharmacol 2017
724
28

CAESAR models for developmental toxicity.
Antonio Cassano, Alberto Manganaro, Todd Martin, Douglas Young, Nadège Piclin, Marco Pintore, Davide Bigoni, Emilio Benfenati. Chem Cent J 2010
605
28

Mechanistic applicability domain classification of a local lymph node assay dataset for skin sensitization.
David W Roberts, Grace Patlewicz, Petra S Kern, Frank Gerberick, Ian Kimber, Rebecca J Dearman, Cindy A Ryan, David A Basketter, Aynur O Aptula. Chem Res Toxicol 2007
725
27

Application of the threshold of toxicological concern (TTC) to the safety evaluation of cosmetic ingredients.
R Kroes, A G Renwick, V Feron, C L Galli, M Gibney, H Greim, R H Guy, J C Lhuguenot, J J M van de Sandt. Food Chem Toxicol 2007
696
27

A strategy for structuring and reporting a read-across prediction of toxicity.
T W Schultz, P Amcoff, E Berggren, F Gautier, M Klaric, D J Knight, C Mahony, M Schwarz, A White, M T D Cronin. Regul Toxicol Pharmacol 2015
554
27

Correlation of chemical structure with reproductive and developmental toxicity as it relates to the use of the threshold of toxicological concern.
Michael C Laufersweiler, Bernard Gadagbui, Irene M Baskerville-Abraham, Andrew Maier, Alison Willis, Anthony R Scialli, Gregory J Carr, Susan P Felter, Karen Blackburn, George Daston. Regul Toxicol Pharmacol 2012
608
27


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
316
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
11

The rise of deep learning in drug discovery.
Hongming Chen, Ola Engkvist, Yinhai Wang, Marcus Olivecrona, Thomas Blaschke. Drug Discov Today 2018
351
9

ZINC 15--Ligand Discovery for Everyone.
Teague Sterling, John J Irwin. J Chem Inf Model 2015
843
9

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
459
9

Open Babel: An open chemical toolbox.
Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch, Geoffrey R Hutchison. J Cheminform 2011
9


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
250
8


Molecular graph convolutions: moving beyond fingerprints.
Steven Kearnes, Kevin McCloskey, Marc Berndl, Vijay Pande, Patrick Riley. J Comput Aided Mol Des 2016
291
7

Molecular de-novo design through deep reinforcement learning.
Marcus Olivecrona, Thomas Blaschke, Ola Engkvist, Hongming Chen. J Cheminform 2017
200
7


Estimation of toxic hazard--a decision tree approach.
G M Cramer, R A Ford, R L Hall. Food Cosmet Toxicol 1978
569
7

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
284
6



PubChem 2019 update: improved access to chemical data.
Sunghwan Kim, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, Benjamin A Shoemaker, Paul A Thiessen, Bo Yu,[...]. Nucleic Acids Res 2019
865
6


SchNet - A deep learning architecture for molecules and materials.
K T Schütt, H E Sauceda, P-J Kindermans, A Tkatchenko, K-R Müller. J Chem Phys 2018
243
6

Quantum chemistry structures and properties of 134 kilo molecules.
Raghunathan Ramakrishnan, Pavlo O Dral, Matthias Rupp, O Anatole von Lilienfeld. Sci Data 2014
262
6




Extension of the Dermal Sensitisation Threshold (DST) approach to incorporate chemicals classified as reactive.
Robert J Safford, Anne Marie Api, David W Roberts, Jon F Lalko. Regul Toxicol Pharmacol 2015
234
6

Analyzing Learned Molecular Representations for Property Prediction.
Kevin Yang, Kyle Swanson, Wengong Jin, Connor Coley, Philipp Eiden, Hua Gao, Angel Guzman-Perez, Timothy Hopper, Brian Kelley, Miriam Mathea,[...]. J Chem Inf Model 2019
119
6

Comparison of Cramer classification between Toxtree, the OECD QSAR Toolbox and expert judgment.
Sneha Bhatia, Terry Schultz, David Roberts, Jie Shen, Lambros Kromidas, Anne Marie Api. Regul Toxicol Pharmacol 2015
238
6

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
639
5

Deep learning.
Yann LeCun, Yoshua Bengio, Geoffrey Hinton. Nature 2015
5

Demystifying Multitask Deep Neural Networks for Quantitative Structure-Activity Relationships.
Yuting Xu, Junshui Ma, Andy Liaw, Robert P Sheridan, Vladimir Svetnik. J Chem Inf Model 2017
74
6

Long short-term memory.
S Hochreiter, J Schmidhuber. Neural Comput 1997
5

The Connectivity Map: using gene-expression signatures to connect small molecules, genes, and disease.
Justin Lamb, Emily D Crawford, David Peck, Joshua W Modell, Irene C Blat, Matthew J Wrobel, Jim Lerner, Jean-Philippe Brunet, Aravind Subramanian, Kenneth N Ross,[...]. Science 2006
5

Large-scale comparison of machine learning methods for drug target prediction on ChEMBL.
Andreas Mayr, Günter Klambauer, Thomas Unterthiner, Marvin Steijaert, Jörg K Wegner, Hugo Ceulemans, Djork-Arné Clevert, Sepp Hochreiter. Chem Sci 2018
123
5


Learning continuous and data-driven molecular descriptors by translating equivalent chemical representations.
Robin Winter, Floriane Montanari, Frank Noé, Djork-Arné Clevert. Chem Sci 2018
92
5

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
174
5

Random forest: a classification and regression tool for compound classification and QSAR modeling.
Vladimir Svetnik, Andy Liaw, Christopher Tong, J Christopher Culberson, Robert P Sheridan, Bradley P Feuston. J Chem Inf Comput Sci 2003
842
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.