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Venues (Conferences, Journals, ...)
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GrowBag graphs for keyword ? (Num. hits/coverage)
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The graphs summarize 24 occurrences of 20 keywords
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Results
Found 1527 publication records. Showing 1527 according to the selection in the facets
Hits ?▲ |
Authors |
Title |
Venue |
Year |
Link |
Author keywords |
64 | Hongliang Fei, Jun Huan |
Structure feature selection for chemical compound classification. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BIBE ![In: Proceedings of the 8th IEEE International Conference on Bioinformatics and Bioengineering, BIBE 2008, October 8-10, 2008, Athens, Greece, pp. 1-6, 2008, IEEE, 978-1-4244-2845-8. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
|
58 | Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan |
Cheminformatics Microservice: unifying access to open cheminformatics toolkits. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 98, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
51 | Dorothy Deremer, Katherine G. Herbert |
An interdisciplinary undergraduate science informatics degree in a liberal arts context. ![Search on Bibsonomy](Pics/bibsonomy.png) |
SIGCSE ![In: Proceedings of the 37th SIGCSE Technical Symposium on Computer Science Education, SIGCSE 2006, Houston, Texas, USA, March 3-5, 2006, pp. 179-183, 2006, ACM, 1-59593-259-3. The full citation details ...](Pics/full.jpeg) |
2006 |
DBLP DOI BibTeX RDF |
cheminformatics, interdisciplinary science curriculum, science informatics, bioinformatics, curriculum development |
35 | Michael Blakey, Samantha Kanza, Jeremy G. Frey |
Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 16(1), pp. 42, December 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
35 | Barbara Zdrazil, Rajarshi Guha, Karina Martínez-Mayorga, Nina Jeliazkova |
Are new ideas harder to find? A note on incremental research and Journal of Cheminformatics' Scientific Contribution Statement. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 16(1), pp. 6, December 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
35 | Charles Tapley Hoyt, Barbara Zdrazil, Rajarshi Guha, Nina Jeliazkova, Karina Martínez-Mayorga, Eva Nittinger |
Improving reproducibility and reusability in the Journal of Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 62, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
35 | Ann M. Richard |
Paths to cheminformatics: Q&A with Ann M. Richard. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 93, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
35 | Karla Gonzalez-Ponce, Carolina Horta Andrade, Fiona Hunter, Johannes Kirchmair, Karina Martínez-Mayorga, José L. Medina-Franco, Matthias Rarey, Alexander Tropsha, Alexandre Varnek, Barbara Zdrazil |
School of cheminformatics in Latin America. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 82, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
35 | Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil |
Biomedical data analyses facilitated by open cheminformatics workflows. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 46, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
35 | Nathaniel Charest |
Paths to cheminformatics: Q&A with Nathaniel Charest. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 92, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
35 | Phyo Phyo Kyaw Zin |
Paths to cheminformatics: Q&A with Phyo Phyo Kyaw Zin. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 15(1), pp. 21, December 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
35 | Christina Humer, Henry Heberle, Floriane Montanari, Thomas Wolf, Florian Huber, Ryan Henderson, Julian Heinrich, Marc Streit |
ChemInformatics Model Explorer (CIME): exploratory analysis of chemical model explanations. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 14(1), pp. 21, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
35 | Barbara Zdrazil, Rajarshi Guha |
Diversifying cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 14(1), pp. 25, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
35 | Norberto Sánchez-Cruz, Emma Schymanski |
Paths to Cheminformatics: Q&A with Norberto Sánchez-Cruz and Emma Schymanski. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 14(1), pp. 51, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
35 | Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil |
Reply to "FAIR chemical structure in the Journal of Cheminformatics". ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 13(1), pp. 49, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
35 | Martin Sícho, Xuhan Liu, Daniel Svozil, Gerard J. P. van Westen |
GenUI: interactive and extensible open source software platform for de novo molecular generation and cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 13(1), pp. 73, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
35 | Emma Schymanski, Evan Bolton |
FAIR chemical structures in the Journal of Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 13(1), pp. 50, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
35 | Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova |
What is the role of cheminformatics in a pandemic? ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 13(1), pp. 16, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
35 | Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina |
Too sweet: cheminformatics for deglycosylation in natural products. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 67, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
35 | Dmitrii N. Rassokhin |
The C++ programming language in cheminformatics and computational chemistry. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 10, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
35 | Egon L. Willighagen |
Adoption of the Citation Typing Ontology by the Journal of Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 47, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
35 | Simon Bray, Xavier Lucas, Anup Kumar, Björn A. Grüning |
The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 40, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
35 | Rajarshi Guha, Egon L. Willighagen |
Learning cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 12(1), pp. 4, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
35 | Rajarshi Guha |
Implementing cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 12:1-12:2, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
35 | Robert D. Clark |
A path to next-generation reproducibility in cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 62:1-62:3, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
35 | Jeremy R. Ash, Mélaine A. Kuenemann, Daniel M. Rotroff, Alison A. Motsinger-Reif, Denis Fourches |
Cheminformatics approach to exploring and modeling trait-associated metabolite profiles. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 43:1-43:15, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
35 | Egon L. Willighagen, Nina Jeliazkova, Rajarshi Guha |
Journal of Cheminformatics, ORCID, and GitHub. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 11(1), pp. 44:1-44:2, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
35 | Ola Spjuth |
Novel applications of Machine Learning in cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 10(1), pp. 46:1-46:2, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
35 | Jeremy R. Ash, Jacqueline M. Hughes-Oliver |
chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 10(1), pp. 57:1-57:20, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
35 | Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches |
Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 10(1), pp. 53:1-53:20, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
35 | Pieter P. Plehiers, Guy B. Marin, Christian V. Stevens, Kevin M. Van Geem |
Automated reaction database and reaction network analysis: extraction of reaction templates using cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 10(1), pp. 11:1-11:18, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
35 | John W. Mayfield, Roger A. Sayle |
Technical implications of new IUPAC elements in cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 9(1), pp. 10:1-10:3, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
35 | Rajarshi Guha, Egon L. Willighagen |
Helping to improve the practice of cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 9(1), pp. 40:1-40:2, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
35 | Ming Hao, Stephen H. Bryant, Yanli Wang |
Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 8(1), pp. 37:1-37:13, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
35 | María Jimena Martínez, Ignacio Ponzoni, Mónica Fátima Díaz, Gustavo E. Vazquez, Axel J. Soto |
Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 7, pp. 39:1-39:17, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
35 | Lora Mak, David Marcus, Andrew Howlett, Galina Yarova, Guus Duchateau, Werner Klaffke, Andreas Bender 0002, Robert C. Glen |
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 7, pp. 31:1-31:12, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
35 | Denis Fourches, Alexander Tropsha |
Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 6(S-1), pp. 14, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
35 | Thorsten Meinl, Bernd Wiswedel, Michael R. Berthold |
Looking over the rim: algorithms for cheminformatics from computer scientists. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 6(S-1), pp. 13, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
35 | Andreas Truszkowski, Mirco Daniel, Hubert Kuhn, Stefan Neumann 0001, Christoph Steinbeck, Achim Zielesny, Matthias Epple |
A molecular fragment cheminformatics roadmap for mesoscopic simulation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 6(1), pp. 45, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
35 | Matthew D. Krasowski, Sean Ekins |
Using cheminformatics to predict cross reactivity of "designer drugs" to their currently available immunoassays. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 6(1), pp. 22, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
35 | Ola Spjuth, Arvid Berg, Samuel E. Adams, Egon L. Willighagen |
Applications of the InChI in cheminformatics with the CDK and Bioclipse. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 5, pp. 14, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
35 | Gregory A. Landrum |
Reproducibility in cheminformatics and computational chemistry research: certainly we can do better than this. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 5(S-1), pp. 4, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
35 | David J. Wild 0001 |
Cheminformatics for the masses: a chance to increase educational opportunities for the next generation of cheminformaticians. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 5, pp. 32, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
35 | Artem Cherkasov |
Targeting protein-protein interactions using methods of cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 4(S-1), pp. 3, 2012. The full citation details ...](Pics/full.jpeg) |
2012 |
DBLP DOI BibTeX RDF |
|
35 | Andreas Truszkowski, Kalai Vanii Jayaseelan, Stefan Neumann 0001, Egon L. Willighagen, Achim Zielesny, Christoph Steinbeck |
New developments on the cheminformatics open workflow environment CDK-Taverna. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3, pp. 54, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
35 | Leonid L. Chepelev, Michel Dumontier |
Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3, pp. 20, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
35 | Andrew R. Leach |
Cheminformatics and computational chemistry in lead optimisation. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3(S-1), pp. 5, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
35 | Christoph Steinbeck, Stefan Kuhn 0001, Kalai Vanii Jayaseelan, Pablo A. Moreno |
Computational metabolomics - a field at the boundaries of cheminformatics and bioinformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3(S-1), pp. 6, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
35 | Dmitry Pavlov, Mikhail Rybalkin, Boris Karulin, Mikhail Kozhevnikov, Alexey Savelyev, A. Churinov |
Indigo: universal cheminformatics API. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3(S-1), pp. 4, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
35 | Leonid L. Chepelev, Michel Dumontier |
Semantic Web integration of Cheminformatics resources with the SADI framework. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 3, pp. 16, 2011. The full citation details ...](Pics/full.jpeg) |
2011 |
DBLP DOI BibTeX RDF |
|
35 | David J. Wild 0001 |
Grand challenges for cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Cheminformatics ![In: J. Cheminformatics 1, pp. 1, 2009. The full citation details ...](Pics/full.jpeg) |
2009 |
DBLP DOI BibTeX RDF |
|
29 | John D. Crabtree, Dinesh P. Mehta |
Automated reaction mapping. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ACM J. Exp. Algorithmics ![In: ACM J. Exp. Algorithmics 13, 2008. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
Cheminformatics, mechanisms |
29 | Balachander Krishnamurthy, Tanu Malik, Stephen Stamatis, Venkat Venkatasubramanian, James M. Caruthers |
Rule-Based Classification Systems for Informatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
eScience ![In: Fourth International Conference on e-Science, e-Science 2008, 7-12 December 2008, Indianapolis, IN, USA, pp. 420-421, 2008, IEEE Computer Society, 978-1-4244-3380-3. The full citation details ...](Pics/full.jpeg) |
2008 |
DBLP DOI BibTeX RDF |
ChemInformatics, classification, Rule-based systems |
29 | Matt Coatney, Srinivasan Parthasarathy 0001 |
MotifMiner: Efficient discovery of common substructures in biochemical molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Knowl. Inf. Syst. ![In: Knowl. Inf. Syst. 7(2), pp. 202-223, 2005. The full citation details ...](Pics/full.jpeg) |
2005 |
DBLP DOI BibTeX RDF |
Substructure discovery, Macromolecules, Cheminformatics, Bioinformatics, Frequent-pattern discovery |
22 | Kenneth M. Merz Jr., Guo-Wei Wei 0001, Feng Zhu 0004 |
Editorial: Machine Learning in Bio-cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 64(7), pp. 2125-2128, 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
22 | Daniela Dolciami, Robert M. Ziolek, Daniel W. Davies, Michael Carter, N. Yi Mok, Richard Sherhod |
Exploiting Vector Pattern Diversity of Molecular Scaffolds for Cheminformatics Tasks in Drug Discovery. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 64(6), pp. 1966-1974, 2024. The full citation details ...](Pics/full.jpeg) |
2024 |
DBLP DOI BibTeX RDF |
|
22 | Himaghna Bhattacharjee, Jackson W. Burns, Dionisios G. Vlachos |
AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Phys. Commun. ![In: Comput. Phys. Commun. 283, pp. 108579, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
22 | Kenneth M. Merz Jr., Guo-Wei Wei 0001, Feng Zhu 0004 |
Editorial: Machine Learning in Bio-cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 63(1), pp. 1, 2023. The full citation details ...](Pics/full.jpeg) |
2023 |
DBLP DOI BibTeX RDF |
|
22 | Till Schäfer |
Graph set data mining: clustering and pattern mining in the context of cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2023 |
RDF |
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22 | Dominique Sydow, Jaime Rodríguez-Guerra, Talia B. Kimber, David Schaller 0002, Corey J. Taylor, Yonghui Chen, Mareike Leja, Sakshi Misra, Michele Wichmann, Armin Ariamajd, Andrea Volkamer |
TeachOpenCADD 2022: open source and FAIR Python pipelines to assist in structural bioinformatics and cheminformatics research. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Nucleic Acids Res. ![In: Nucleic Acids Res. 50(W1), pp. 753-760, 2022. The full citation details ...](Pics/full.jpeg) |
2022 |
DBLP DOI BibTeX RDF |
|
22 | Alessandro Pedretti, Angelica Mazzolari, Silvia Gervasoni, Laura Fumagalli, Giulio Vistoli |
The VEGA suite of programs: an versatile platform for cheminformatics and drug design projects. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 37(8), pp. 1174-1175, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP DOI BibTeX RDF |
|
22 | Luke Chang, Katharina Dost, Kaiqi Zhao 0001, Ambra Demontis, Fabio Roli, Gill Dobbie, Jörg Wicker |
Intriguing Usage of Applicability Domain: Lessons from Cheminformatics Applied to Adversarial Learning. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/2105.00495, 2021. The full citation details ...](Pics/full.jpeg) |
2021 |
DBLP BibTeX RDF |
|
22 | Andre Droschinsky |
Tree comparison: enumeration and application to cheminformatics ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2021 |
RDF |
|
22 | Sebastian Böcker, Corey Broeckling, Emma Schymanski, Nicola Zamboni |
Computational Metabolomics: From Cheminformatics to Machine Learning (Dagstuhl Seminar 20051). ![Search on Bibsonomy](Pics/bibsonomy.png) |
Dagstuhl Reports ![In: Dagstuhl Reports 10(1), pp. 144-159, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
22 | Chao Lan, Sai Nivedita Chandrasekaran, Jun Huan |
On the Unreported-Profile-is-Negative Assumption for Predictive Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
IEEE ACM Trans. Comput. Biol. Bioinform. ![In: IEEE ACM Trans. Comput. Biol. Bioinform. 17(4), pp. 1352-1363, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
22 | Muhammad Faraz Anwar, Ramsha Khalid, Alina Hasanain, Sadaf Naeem, Shamshad Zarina, Syed Hani Abidi, Syed Ali |
Application of an integrated cheminformatics-molecular docking approach for discovery for physicochemically similar analogs of fluoroquinolones as putative HCV inhibitors. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Comput. Biol. Chem. ![In: Comput. Biol. Chem. 84, pp. 107167, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
22 | H. N. Tran Tran, J. Joshua Thomas, Nurul Hashimah Ahamed Hassain Malim, Abdalla M. Ali, Bach Huynh Son |
Graph Neural Networks in Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
ICO ![In: ICO, pp. 823-837, 2020. The full citation details ...](Pics/full.jpeg) |
2020 |
DBLP DOI BibTeX RDF |
|
22 | Ya Chen 0002 |
Cheminformatics in Natural Product-Based Drug Discovery ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2020 |
RDF |
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22 | Branko Arsic, Marija Ðokic-Petrovic, Petar C. Spalevic, Ivan Z. Milentijevic, Dejan D. Rancic, Marko Zivanovic |
SpecINT: A framework for data integration over cheminformatics and bioinformatics RDF repositories. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Semantic Web ![In: Semantic Web 10(4), pp. 795-813, 2019. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
22 | Peng Jiang, Serkan Saydam, Hamed Lamei Ramandi, Alan Crosky, Mojtaba Maghrebi |
Deep Molecular Representation in Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Handbook of Deep Learning Applications ![In: Handbook of Deep Learning Applications., pp. 147-159, 2019, Springer, 978-3-030-11478-7. The full citation details ...](Pics/full.jpeg) |
2019 |
DBLP DOI BibTeX RDF |
|
22 | Vishal B. Siramshetty |
Cheminformatics Approaches to Drug Discovery (From Knowledgebases to Toxicity Prediction and Promiscuity Assessment) ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2019 |
RDF |
|
22 | Jeremy R. Ash, Jacqueline M. Hughes-Oliver |
chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1807.00243, 2018. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP BibTeX RDF |
|
22 | Víctor Sebastián-Pérez, María Jimena Martínez, Carmen Gil, Nuria E. Campillo, Ana Martínez, Ignacio Ponzoni |
QSAR Modelling for Drug Discovery: Predicting the Activity of LRRK2 Inhibitors for Parkinson's Disease Using Cheminformatics Approaches. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PACBB ![In: Practical Applications of Computational Biology and Bioinformatics, 12th International Conference, PACBB 2018, Toledo, Spain, 20-22 May, 2018., pp. 63-70, 2018, Springer, 978-3-319-98701-9. The full citation details ...](Pics/full.jpeg) |
2018 |
DBLP DOI BibTeX RDF |
|
22 | Kiran K. Telukunta |
Development and application of ligand-based cheminformatics tools for drug discovery from natural products (Entwicklung und Anwendung von ligandenbasierten Cheminformatik-Programmen für die Identifizierung von Arzneimitteln aus Naturstoffen) ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2018 |
RDF |
|
22 | Jakob L. Andersen, Christoph Flamm, Daniel Merkle, Peter F. Stadler |
Algorithmic Cheminformatics (Dagstuhl Seminar 17452). ![Search on Bibsonomy](Pics/bibsonomy.png) |
Dagstuhl Reports ![In: Dagstuhl Reports 7(11), pp. 28-45, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
22 | Ross McGuire, Stefan Verhoeven, Márton Vass, Gerrit Vriend, Iwan J. P. de Esch, Scott J. Lusher, Rob Leurs, Lars Ridder, Albert J. Kooistra, Tina Ritschel, Chris de Graaf |
3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 57(2), pp. 115-121, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
22 | Stephen J. Capuzzi, Ian Sang-June Kim, Wai In Lam, Thomas E. Thornton, Eugene N. Muratov, Diane Pozefsky, Alexander Tropsha |
Chembench: A Publicly Accessible, Integrated Cheminformatics Portal. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 57(2), pp. 105-108, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
22 | |
On the Unreported-Profile-is-Negative Assumption for Predictive Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
CoRR ![In: CoRR abs/1704.01184, 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP BibTeX RDF |
|
22 | Georgia Melagraki, Evangelos Ntougkos, Vagelis Rinotas, Christos Papaneophytou, Georgios Leonis, Thomas M. Mavromoustakos, George Kontopidis, Eleni Douni, Antreas Afantitis, George Kollias |
Cheminformatics-aided discovery of small-molecule Protein-Protein Interaction (PPI) dual inhibitors of Tumor Necrosis Factor (TNF) and Receptor Activator of NF-κB Ligand (RANKL). ![Search on Bibsonomy](Pics/bibsonomy.png) |
PLoS Comput. Biol. ![In: PLoS Comput. Biol. 13(4), 2017. The full citation details ...](Pics/full.jpeg) |
2017 |
DBLP DOI BibTeX RDF |
|
22 | Ammar Adl, Moustafa Zein, Aboul Ella Hassanien |
PQSAR: The membrane quantitative structure-activity relationships in cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Expert Syst. Appl. ![In: Expert Syst. Appl. 54, pp. 219-227, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
22 | Yen S. Low, Ola Caster, Tomas Bergvall, Denis Fourches, Xiaoling Zang, G. Niklas Norén, Ivan Rusyn, I. Ralph Edwards, Alexander Tropsha |
Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson Syndrome. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Am. Medical Informatics Assoc. ![In: J. Am. Medical Informatics Assoc. 23(5), pp. 968-978, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
22 | Naman Paul, Lavinia A. Carabet, Nada Lallous, Takeshi Yamazaki, Martin E. Gleave, Paul S. Rennie, Artem Cherkasov |
Cheminformatics Modeling of Adverse Drug Responses by Clinically Relevant Mutants of Human Androgen Receptor. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 56(12), pp. 2507-2516, 2016. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
22 | Fiorella Cravero, María Jimena Martínez, Gustavo E. Vazquez, Mónica Fátima Díaz, Ignacio Ponzoni |
Intelligent Systems for Predictive Modelling in Cheminformatics: QSPR Models for Material Design Using Machine Learning and Visual Analytics Tools. ![Search on Bibsonomy](Pics/bibsonomy.png) |
PACBB ![In: 10th International Conference on Practical Applications of Computational Biology & Bioinformatics, PACBB 2016, Sevilla, Spain, 1-3 June 2016, pp. 3-11, 2016, Springer, 978-3-319-40125-6. The full citation details ...](Pics/full.jpeg) |
2016 |
DBLP DOI BibTeX RDF |
|
22 | Markus Wagener, Frank Oellien, Uli Fechner, Matthias Rarey |
10th ICCS/GCC Conference: 40 Years of Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(6), pp. 1087, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
22 | Sriram Tyagarajan, Christopher T. Lowden, Zhengwei Peng, Kevin D. Dykstra, Edward C. Sherer, Shane W. Krska |
Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(6), pp. 1130-1135, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
22 | Matthias Hilbig 0001, Matthias Rarey |
MONA 2: A Light Cheminformatics Platform for Interactive Compound Library Processing. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 55(10), pp. 2071-2078, 2015. The full citation details ...](Pics/full.jpeg) |
2015 |
DBLP DOI BibTeX RDF |
|
22 | Sascha Urbaczek |
A consistent cheminformatics framework for automated virtual screening. ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2015 |
RDF |
|
22 | Pierre-Anthony Grenier |
Modélisation de la stéréochimie : une application à la chémoinformatique. (Encoding of stereochimistry applied to cheminformatics). ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2015 |
RDF |
|
22 | Wolfgang Banzhaf, Christoph Flamm, Daniel Merkle, Peter F. Stadler |
Algorithmic Cheminformatics (Dagstuhl Seminar 14452). ![Search on Bibsonomy](Pics/bibsonomy.png) |
Dagstuhl Reports ![In: Dagstuhl Reports 4(11), pp. 22-39, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
22 | Leah McEwen, Ye Li 0006 |
Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 28(10), pp. 975-988, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
22 | James L. McDonagh, Neetika Nath, Luna De Ferrari, Tanja Van Mourik, John B. O. Mitchell |
Uniting Cheminformatics and Chemical Theory To Predict the Intrinsic Aqueous Solubility of Crystalline Druglike Molecules. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Chem. Inf. Model. ![In: J. Chem. Inf. Model. 54(3), pp. 844-856, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
22 | Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, John P. Overington |
myChEMBL: a virtual machine implementation of open data and cheminformatics tools. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 30(2), pp. 298-300, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
22 | Denis Fourches, Maria F. Sassano, Bryan L. Roth, Alexander Tropsha |
HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Bioinform. ![In: Bioinform. 30(4), pp. 588-589, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP DOI BibTeX RDF |
|
22 | Qian Zhu 0003, Cui Tao, Feichen Shen, Christopher G. Chute |
Exploring the Pharmacogenomics Knowledge Base (PharmGKB) for Repositioning Breast Cancer Drugs by Leveraging Web Ontology Language (OWL) and Cheminformatics Approaches. ![Search on Bibsonomy](Pics/bibsonomy.png) |
Pacific Symposium on Biocomputing ![In: Biocomputing 2014: Proceedings of the Pacific Symposium, Kohala Coast, Hawaii, USA, January 3-7, 2014, pp. 172-182, 2014. The full citation details ...](Pics/full.jpeg) |
2014 |
DBLP BibTeX RDF |
|
22 | Yufeng Jane Tseng, Eric J. Martin, Cristian Bologa, Anang A. Shelat |
Cheminformatics aspects of high throughput screening: from robots to models: symposium summary. ![Search on Bibsonomy](Pics/bibsonomy.png) |
J. Comput. Aided Mol. Des. ![In: J. Comput. Aided Mol. Des. 27(5), pp. 443-453, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
22 | Stephan Beisken, Thorsten Meinl, Bernd Wiswedel, Luis F. de Figueiredo, Michael R. Berthold, Christoph Steinbeck |
KNIME-CDK: Workflow-driven Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
BMC Bioinform. ![In: BMC Bioinform. 14, pp. 257, 2013. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
22 | Mostafa A. Salama, Aboul Ella Hassanien, Adel M. Alimi |
Formal concept analysis approach for comparison between Mutagenicity and Carcinogenicity in Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
HIS ![In: 13th International Conference on Hybrid Intelligent Systems, HIS 2013, Gammarth, Tunisia, December 4-6, 2013, pp. 267-272, 2013, IEEE, 978-1-4799-2438-7. The full citation details ...](Pics/full.jpeg) |
2013 |
DBLP DOI BibTeX RDF |
|
22 | Tobias Girschick |
Enhanced small molecule similarity for quantitative structure-activity relationship modeling and cheminformatics applications. ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2013 |
RDF |
|
22 | Jörg Wicker |
Large classifier systems in bio- and cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
|
2013 |
RDF |
|
22 | Olga Tanaseichuk |
Some Clustering and Classification Problems in High-Throughput Metagenomics and Cheminformatics. ![Search on Bibsonomy](Pics/bibsonomy.png) |
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2013 |
RDF |
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