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The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
Williams, Antony J., Grulke, Christopher M., Edwards, Jeff, McEachran, Andrew D., Mansouri, Kamel, Baker, Nancy C., Patlewicz, Grace, Shah, Imran, Wambaugh, John F., Judson, Richard S., Richard, Ann M.
Published in Journal of cheminformatics (28.11.2017)
Published in Journal of cheminformatics (28.11.2017)
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PubChem synonym filtering process using crowdsourcing
Kim, Sunghwan, Yu, Bo, Li, Qingliang, Bolton, Evan E.
Published in Journal of cheminformatics (16.06.2024)
Published in Journal of cheminformatics (16.06.2024)
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Chemical toxicity prediction based on semi-supervised learning and graph convolutional neural network
Chen, Jiarui, Si, Yain-Whar, Un, Chon-Wai, Siu, Shirley W. I.
Published in Journal of cheminformatics (27.11.2021)
Published in Journal of cheminformatics (27.11.2021)
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CIME4R: Exploring iterative, AI-guided chemical reaction optimization campaigns in their parameter space
Humer, Christina, Nicholls, Rachel, Heberle, Henry, Heckmann, Moritz, Pühringer, Michael, Wolf, Thomas, Lübbesmeyer, Maximilian, Heinrich, Julian, Hillenbrand, Julius, Volpin, Giulio, Streit, Marc
Published in Journal of cheminformatics (10.05.2024)
Published in Journal of cheminformatics (10.05.2024)
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Implementation of an open chemistry knowledge base with a Semantic Wiki
Neidiger, Charlotte, Saier, Tarek, Kühn, Kai, Larignon, Victor, Färber, Michael, Bizzarri, Claudia, Šimek Tosino, Helena, Holzhauer, Laura, Erdmann, Michael, Nguyen, An, Harvey, Dean, Tremouilhac, Pierre, Kramer, Claudia, Hansch, Daniel, Schönle, Fabian, Alpin, Jana, Hartmann, Maximilian, Wagner, Jérome, Jung, Nicole, Bräse, Stefan
Published in Journal of cheminformatics (06.07.2025)
Published in Journal of cheminformatics (06.07.2025)
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Literature information in PubChem: associations between PubChem records and scientific articles
Kim, Sunghwan, Thiessen, Paul A., Cheng, Tiejun, Yu, Bo, Shoemaker, Benjamin A., Wang, Jiyao, Bolton, Evan E., Wang, Yanli, Bryant, Stephen H.
Published in Journal of cheminformatics (10.06.2016)
Published in Journal of cheminformatics (10.06.2016)
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Hilbert-curve assisted structure embedding method
Zahoránszky-Kőhalmi, Gergely, Wan, Kanny K., Godfrey, Alexander G.
Published in Journal of cheminformatics (29.07.2024)
Published in Journal of cheminformatics (29.07.2024)
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An algorithm to classify homologous series within compound datasets
Lai, Adelene, Schaub, Jonas, Steinbeck, Christoph, Schymanski, Emma L.
Published in Journal of cheminformatics (13.12.2022)
Published in Journal of cheminformatics (13.12.2022)
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Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease
Bray, Simon, Dudgeon, Tim, Skyner, Rachael, Backofen, Rolf, Grüning, Björn, von Delft, Frank
Published in Journal of cheminformatics (12.04.2022)
Published in Journal of cheminformatics (12.04.2022)
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ChemTables: a dataset for semantic classification on tables in chemical patents
Zhai, Zenan, Druckenbrodt, Christian, Thorne, Camilo, Akhondi, Saber A., Nguyen, Dat Quoc, Cohn, Trevor, Verspoor, Karin
Published in Journal of cheminformatics (11.12.2021)
Published in Journal of cheminformatics (11.12.2021)
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Annotation and detection of drug effects in text for pharmacovigilance
Thompson, Paul, Daikou, Sophia, Ueno, Kenju, Batista-Navarro, Riza, Tsujii, Jun’ichi, Ananiadou, Sophia
Published in Journal of cheminformatics (13.08.2018)
Published in Journal of cheminformatics (13.08.2018)
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The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age
Adams, Sam, de Castro, Pablo, Echenique, Pablo, Estrada, Jorge, Hanwell, Marcus D, Murray-Rust, Peter, Sherwood, Paul, Thomas, Jens, Townsend, Joe
Published in Journal of cheminformatics (14.10.2011)
Published in Journal of cheminformatics (14.10.2011)
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Terminology spectrum analysis of natural-language chemical documents: term-like phrases retrieval routine
Alperin, Boris L., Kuzmin, Andrey O., Ilina, Ludmila Yu, Gusev, Vladimir D., Salomatina, Natalia V., Parmon, Valentin N.
Published in Journal of cheminformatics (29.04.2016)
Published in Journal of cheminformatics (29.04.2016)
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