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Publication years (Num. hits)
1996-2007 (15) 2008-2009 (36) 2010 (98) 2011 (131) 2012 (139) 2013 (132) 2014 (143) 2015 (83) 2016 (78) 2017 (72) 2018 (71) 2019 (83) 2020 (78) 2021 (103) 2022 (90) 2023 (127) 2024 (48)
Publication types (Num. hits)
article(1485) incollection(2) inproceedings(26) phdthesis(14)
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Found 1527 publication records. Showing 1527 according to the selection in the facets
Hits ? Authors Title Venue Year Link Author keywords
64Hongliang Fei, Jun Huan Structure feature selection for chemical compound classification. Search on Bibsonomy BIBE The full citation details ... 2008 DBLP  DOI  BibTeX  RDF
58Venkata Chandrasekhar, Nisha Sharma, Jonas Schaub, Christoph Steinbeck, Kohulan Rajan Cheminformatics Microservice: unifying access to open cheminformatics toolkits. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
51Dorothy Deremer, Katherine G. Herbert An interdisciplinary undergraduate science informatics degree in a liberal arts context. Search on Bibsonomy SIGCSE The full citation details ... 2006 DBLP  DOI  BibTeX  RDF cheminformatics, interdisciplinary science curriculum, science informatics, bioinformatics, curriculum development
35Michael Blakey, Samantha Kanza, Jeremy G. Frey Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents. Search on Bibsonomy J. Cheminformatics The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
35Barbara 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 J. Cheminformatics The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
35Charles 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 J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
35Ann M. Richard Paths to cheminformatics: Q&A with Ann M. Richard. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
35Karla 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 J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
35Eva Nittinger, Alex Clark, Anna Gaulton, Barbara Zdrazil Biomedical data analyses facilitated by open cheminformatics workflows. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
35Nathaniel Charest Paths to cheminformatics: Q&A with Nathaniel Charest. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
35Phyo Phyo Kyaw Zin Paths to cheminformatics: Q&A with Phyo Phyo Kyaw Zin. Search on Bibsonomy J. Cheminformatics The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
35Christina 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 J. Cheminformatics The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
35Barbara Zdrazil, Rajarshi Guha Diversifying cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
35Norberto Sánchez-Cruz, Emma Schymanski Paths to Cheminformatics: Q&A with Norberto Sánchez-Cruz and Emma Schymanski. Search on Bibsonomy J. Cheminformatics The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
35Rajarshi Guha, Nina Jeliazkova, Egon L. Willighagen, Barbara Zdrazil Reply to "FAIR chemical structure in the Journal of Cheminformatics". Search on Bibsonomy J. Cheminformatics The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
35Martin 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 J. Cheminformatics The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
35Emma Schymanski, Evan Bolton FAIR chemical structures in the Journal of Cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
35Rajarshi Guha, Egon L. Willighagen, Barbara Zdrazil, Nina Jeliazkova What is the role of cheminformatics in a pandemic? Search on Bibsonomy J. Cheminformatics The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
35Jonas Schaub, Achim Zielesny, Christoph Steinbeck, Maria Sorokina Too sweet: cheminformatics for deglycosylation in natural products. Search on Bibsonomy J. Cheminformatics The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
35Dmitrii N. Rassokhin The C++ programming language in cheminformatics and computational chemistry. Search on Bibsonomy J. Cheminformatics The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
35Egon L. Willighagen Adoption of the Citation Typing Ontology by the Journal of Cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
35Simon Bray, Xavier Lucas, Anup Kumar, Björn A. Grüning The ChemicalToolbox: reproducible, user-friendly cheminformatics analysis on the Galaxy platform. Search on Bibsonomy J. Cheminformatics The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
35Rajarshi Guha, Egon L. Willighagen Learning cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
35Rajarshi Guha Implementing cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
35Robert D. Clark A path to next-generation reproducibility in cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
35Jeremy 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 J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
35Egon L. Willighagen, Nina Jeliazkova, Rajarshi Guha Journal of Cheminformatics, ORCID, and GitHub. Search on Bibsonomy J. Cheminformatics The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
35Ola Spjuth Novel applications of Machine Learning in cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
35Jeremy R. Ash, Jacqueline M. Hughes-Oliver chemmodlab: a cheminformatics modeling laboratory R package for fitting and assessing machine learning models. Search on Bibsonomy J. Cheminformatics The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
35Phyo Phyo Kyaw Zin, Gavin Williams, Denis Fourches Cheminformatics-based enumeration and analysis of large libraries of macrolide scaffolds. Search on Bibsonomy J. Cheminformatics The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
35Pieter 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 J. Cheminformatics The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
35John W. Mayfield, Roger A. Sayle Technical implications of new IUPAC elements in cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
35Rajarshi Guha, Egon L. Willighagen Helping to improve the practice of cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
35Ming Hao, Stephen H. Bryant, Yanli Wang Cheminformatics analysis of the AR agonist and antagonist datasets in PubChem. Search on Bibsonomy J. Cheminformatics The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
35María 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 J. Cheminformatics The full citation details ... 2015 DBLP  DOI  BibTeX  RDF
35Lora 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 J. Cheminformatics The full citation details ... 2015 DBLP  DOI  BibTeX  RDF
35Denis Fourches, Alexander Tropsha Fishing out the signal in polypharmacological high-throughput screening data using novel navigator cheminformatics software. Search on Bibsonomy J. Cheminformatics The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
35Thorsten Meinl, Bernd Wiswedel, Michael R. Berthold Looking over the rim: algorithms for cheminformatics from computer scientists. Search on Bibsonomy J. Cheminformatics The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
35Andreas 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 J. Cheminformatics The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
35Matthew D. Krasowski, Sean Ekins Using cheminformatics to predict cross reactivity of "designer drugs" to their currently available immunoassays. Search on Bibsonomy J. Cheminformatics The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
35Ola Spjuth, Arvid Berg, Samuel E. Adams, Egon L. Willighagen Applications of the InChI in cheminformatics with the CDK and Bioclipse. Search on Bibsonomy J. Cheminformatics The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
35Gregory A. Landrum Reproducibility in cheminformatics and computational chemistry research: certainly we can do better than this. Search on Bibsonomy J. Cheminformatics The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
35David J. Wild 0001 Cheminformatics for the masses: a chance to increase educational opportunities for the next generation of cheminformaticians. Search on Bibsonomy J. Cheminformatics The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
35Artem Cherkasov Targeting protein-protein interactions using methods of cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2012 DBLP  DOI  BibTeX  RDF
35Andreas 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 J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
35Leonid L. Chepelev, Michel Dumontier Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration. Search on Bibsonomy J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
35Andrew R. Leach Cheminformatics and computational chemistry in lead optimisation. Search on Bibsonomy J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
35Christoph Steinbeck, Stefan Kuhn 0001, Kalai Vanii Jayaseelan, Pablo A. Moreno Computational metabolomics - a field at the boundaries of cheminformatics and bioinformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
35Dmitry Pavlov, Mikhail Rybalkin, Boris Karulin, Mikhail Kozhevnikov, Alexey Savelyev, A. Churinov Indigo: universal cheminformatics API. Search on Bibsonomy J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
35Leonid L. Chepelev, Michel Dumontier Semantic Web integration of Cheminformatics resources with the SADI framework. Search on Bibsonomy J. Cheminformatics The full citation details ... 2011 DBLP  DOI  BibTeX  RDF
35David J. Wild 0001 Grand challenges for cheminformatics. Search on Bibsonomy J. Cheminformatics The full citation details ... 2009 DBLP  DOI  BibTeX  RDF
29John D. Crabtree, Dinesh P. Mehta Automated reaction mapping. Search on Bibsonomy ACM J. Exp. Algorithmics The full citation details ... 2008 DBLP  DOI  BibTeX  RDF Cheminformatics, mechanisms
29Balachander Krishnamurthy, Tanu Malik, Stephen Stamatis, Venkat Venkatasubramanian, James M. Caruthers Rule-Based Classification Systems for Informatics. Search on Bibsonomy eScience The full citation details ... 2008 DBLP  DOI  BibTeX  RDF ChemInformatics, classification, Rule-based systems
29Matt Coatney, Srinivasan Parthasarathy 0001 MotifMiner: Efficient discovery of common substructures in biochemical molecules. Search on Bibsonomy Knowl. Inf. Syst. The full citation details ... 2005 DBLP  DOI  BibTeX  RDF Substructure discovery, Macromolecules, Cheminformatics, Bioinformatics, Frequent-pattern discovery
22Kenneth M. Merz Jr., Guo-Wei Wei 0001, Feng Zhu 0004 Editorial: Machine Learning in Bio-cheminformatics. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
22Daniela 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 J. Chem. Inf. Model. The full citation details ... 2024 DBLP  DOI  BibTeX  RDF
22Himaghna Bhattacharjee, Jackson W. Burns, Dionisios G. Vlachos AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets. Search on Bibsonomy Comput. Phys. Commun. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
22Kenneth M. Merz Jr., Guo-Wei Wei 0001, Feng Zhu 0004 Editorial: Machine Learning in Bio-cheminformatics. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2023 DBLP  DOI  BibTeX  RDF
22Till Schäfer Graph set data mining: clustering and pattern mining in the context of cheminformatics. Search on Bibsonomy 2023   RDF
22Dominique 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 Nucleic Acids Res. The full citation details ... 2022 DBLP  DOI  BibTeX  RDF
22Alessandro 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 Bioinform. The full citation details ... 2021 DBLP  DOI  BibTeX  RDF
22Luke 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 CoRR The full citation details ... 2021 DBLP  BibTeX  RDF
22Andre Droschinsky Tree comparison: enumeration and application to cheminformatics Search on Bibsonomy 2021   RDF
22Sebastian Böcker, Corey Broeckling, Emma Schymanski, Nicola Zamboni Computational Metabolomics: From Cheminformatics to Machine Learning (Dagstuhl Seminar 20051). Search on Bibsonomy Dagstuhl Reports The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
22Chao Lan, Sai Nivedita Chandrasekaran, Jun Huan On the Unreported-Profile-is-Negative Assumption for Predictive Cheminformatics. Search on Bibsonomy IEEE ACM Trans. Comput. Biol. Bioinform. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
22Muhammad 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 Comput. Biol. Chem. The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
22H. 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 ICO The full citation details ... 2020 DBLP  DOI  BibTeX  RDF
22Ya Chen 0002 Cheminformatics in Natural Product-Based Drug Discovery Search on Bibsonomy 2020   RDF
22Branko 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 Semantic Web The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
22Peng Jiang, Serkan Saydam, Hamed Lamei Ramandi, Alan Crosky, Mojtaba Maghrebi Deep Molecular Representation in Cheminformatics. Search on Bibsonomy Handbook of Deep Learning Applications The full citation details ... 2019 DBLP  DOI  BibTeX  RDF
22Vishal B. Siramshetty Cheminformatics Approaches to Drug Discovery (From Knowledgebases to Toxicity Prediction and Promiscuity Assessment) Search on Bibsonomy 2019   RDF
22Jeremy R. Ash, Jacqueline M. Hughes-Oliver chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models. Search on Bibsonomy CoRR The full citation details ... 2018 DBLP  BibTeX  RDF
22Víctor 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 PACBB The full citation details ... 2018 DBLP  DOI  BibTeX  RDF
22Kiran 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 2018   RDF
22Jakob L. Andersen, Christoph Flamm, Daniel Merkle, Peter F. Stadler Algorithmic Cheminformatics (Dagstuhl Seminar 17452). Search on Bibsonomy Dagstuhl Reports The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
22Ross 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 J. Chem. Inf. Model. The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
22Stephen 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 J. Chem. Inf. Model. The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
22 On the Unreported-Profile-is-Negative Assumption for Predictive Cheminformatics. Search on Bibsonomy CoRR The full citation details ... 2017 DBLP  BibTeX  RDF
22Georgia 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 PLoS Comput. Biol. The full citation details ... 2017 DBLP  DOI  BibTeX  RDF
22Ammar Adl, Moustafa Zein, Aboul Ella Hassanien PQSAR: The membrane quantitative structure-activity relationships in cheminformatics. Search on Bibsonomy Expert Syst. Appl. The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
22Yen 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 J. Am. Medical Informatics Assoc. The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
22Naman 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 J. Chem. Inf. Model. The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
22Fiorella 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 PACBB The full citation details ... 2016 DBLP  DOI  BibTeX  RDF
22Markus Wagener, Frank Oellien, Uli Fechner, Matthias Rarey 10th ICCS/GCC Conference: 40 Years of Cheminformatics. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2015 DBLP  DOI  BibTeX  RDF
22Sriram 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 J. Chem. Inf. Model. The full citation details ... 2015 DBLP  DOI  BibTeX  RDF
22Matthias Hilbig 0001, Matthias Rarey MONA 2: A Light Cheminformatics Platform for Interactive Compound Library Processing. Search on Bibsonomy J. Chem. Inf. Model. The full citation details ... 2015 DBLP  DOI  BibTeX  RDF
22Sascha Urbaczek A consistent cheminformatics framework for automated virtual screening. Search on Bibsonomy 2015   RDF
22Pierre-Anthony Grenier Modélisation de la stéréochimie : une application à la chémoinformatique. (Encoding of stereochimistry applied to cheminformatics). Search on Bibsonomy 2015   RDF
22Wolfgang Banzhaf, Christoph Flamm, Daniel Merkle, Peter F. Stadler Algorithmic Cheminformatics (Dagstuhl Seminar 14452). Search on Bibsonomy Dagstuhl Reports The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
22Leah McEwen, Ye Li 0006 Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management. Search on Bibsonomy J. Comput. Aided Mol. Des. The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
22James 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 J. Chem. Inf. Model. The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
22Rodrigo Ochoa, Mark Davies, George Papadatos, Francis Atkinson, John P. Overington myChEMBL: a virtual machine implementation of open data and cheminformatics tools. Search on Bibsonomy Bioinform. The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
22Denis Fourches, Maria F. Sassano, Bryan L. Roth, Alexander Tropsha HTS navigator: freely accessible cheminformatics software for analyzing high-throughput screening data. Search on Bibsonomy Bioinform. The full citation details ... 2014 DBLP  DOI  BibTeX  RDF
22Qian 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 Pacific Symposium on Biocomputing The full citation details ... 2014 DBLP  BibTeX  RDF
22Yufeng 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 J. Comput. Aided Mol. Des. The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
22Stephan Beisken, Thorsten Meinl, Bernd Wiswedel, Luis F. de Figueiredo, Michael R. Berthold, Christoph Steinbeck KNIME-CDK: Workflow-driven Cheminformatics. Search on Bibsonomy BMC Bioinform. The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
22Mostafa A. Salama, Aboul Ella Hassanien, Adel M. Alimi Formal concept analysis approach for comparison between Mutagenicity and Carcinogenicity in Cheminformatics. Search on Bibsonomy HIS The full citation details ... 2013 DBLP  DOI  BibTeX  RDF
22Tobias Girschick Enhanced small molecule similarity for quantitative structure-activity relationship modeling and cheminformatics applications. Search on Bibsonomy 2013   RDF
22Jörg Wicker Large classifier systems in bio- and cheminformatics. Search on Bibsonomy 2013   RDF
22Olga Tanaseichuk Some Clustering and Classification Problems in High-Throughput Metagenomics and Cheminformatics. Search on Bibsonomy 2013   RDF
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