- Seminarleiter: Purva Kulkarni
- Termin: Di 16-18h, SR 3423 EAP
- Beginn: 25.10.2016
Im Journal Club wird wöchentlich ein aktueller Artikel aus der bioinformatischen Forschung vorgestellt und diskutiert.
Details werden in der ersten Veranstaltung besprochen.
Vorläufiger Ablaufplan
| Date | Paper | Presenter and Backup |
| 18.10. | verschoben | |
| 25.10. | Organisatorisches, Besprechen der Themen | Purva |
| 01.11. | Huibin Shen , Sandor Szedmak, Céline Brouard, Juho Rousu Soft Kernel Target Alignment for Two-Stage Multiple Kernel Learning Volume 9956 of the series Lecture Notes in Computer Science pp 427-441 CANCELLED |
Kai |
| 08.11. | Battista Biggio, Blaine Nelson, Pavel Laskov Support Vector Machines Under Adversarial Label Noise JMLR: Workshop and Conference Proceedings 20 (2011) 97–112, Asian Conference on Machine Learning |
Marcus |
| 15.11. | Yannick Djoumbou Feunang, Roman Eisner, Craig Knox, Leonid Chepelev, Janna Hastings, Gareth Owen, Eoin Fahy, Christoph Steinbeck, Shankar Subramanian, Evan Bolton, Russell Greiner and David S. Wishart ClassyFire: automated chemical classification with a comprehensive, computable taxonomy Journal of Cheminformatics 2016 8:61 DOI: 10.1186/s13321-016-0174-y |
Kai |
| 22.11. | Andrew Palmer, Prasad Phapale, Ilya Chernyavsky, Regis Lavigne, Dominik Fay, Artem Tarasov, Vitaly Kovalev, Jens Fuchser, Sergey Nikolenko, Charles Pineau, Michael Becker & Theodore Alexandrov FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry Nature Methods (2016) doi:10.1038/nmeth.4072 |
Purva |
| 29.11. | Andreas Mayr, Günter Klambauer, Thomas Unterthiner and Sepp Hochreiter DeepTox: Toxicity Prediction using Deep Learning Front. Environ. Sci., 02 February 2016 http://dx.doi.org/10.3389/fenvs.2015.00080 Priyanka Banerjee, Vishal B. Siramshetty, Malgorzata N. Drwal and Robert Preissner Computational methods for prediction of in vitro effects of new chemical structures Journal of Cheminformatics20168:51 DOI: 10.1186/s13321-016-0162-2 |
Daniel and Marcus |
| 06.12. | Visit to weihnachtsmarkt | |
| 13.12. | Visit to weihnachtsmarkt | |
| 20.12. | Pranjal Vachaspati and Tandy Warnow FastRFS: fast and accurate Robinson-Foulds Supertrees using constrained exact optimization Bioinformatics (2016) doi: 10.1093/bioinformatics/btw600 First published online: September 23, 2016 |
Claudia and Markus |
| 03.01. | Mikko I. MalinenPasi Fränti Balanced K-Means for Clustering Joint IAPR International Workshops on Statistical Techniques in Pattern S+SSPR 2014: Structural, Syntactic, and Statistical Pattern Recognition pp 32-41 DOI: 10.1007/978-3-662-44415-3_4 |
Frederik and Tim |
| 10.01. | CANCELLED | |
| 17.01. | Justin Johan Jozias van der Hooft, Joe Wandya, Michael P. Barretta, Karl E. V. Burgessa, and Simon Rogers Topic modeling for untargeted substructure exploration in metabolomics doi: 10.1073/pnas.1608041113 |
Marcus |
| 24.01. | Shahaf et al The WEIZMASS spectral library for high-confidence metabolite identification Nature Communications 7, Article number: 12423 (2016), doi:10.1038/ncomms12423 |
Beatrice and Kai |
| 31.01. |
List of papers:
- Abate-Pellaa et al
Retention projection enables accurate calculation of liquid chromatographic retention times across labs and methods
Journal of Chromatography A, Volume 1412, 18 September 2015, Pages 43–51, DOI: 10.1016/j.chroma.2015.07.108 - Aicheler et al
Retention Time Prediction Improves Identification in Nontargeted Lipidomics Approaches
Anal. Chem., 2015, 87 (15), pp 7698–7704, DOI: 10.1021/acs.analchem.5b01139 - Shunichi Takeda, Hiromasa Kaneko, and Kimito Funatsu
Chemical-Space-Based de Novo Design Method To Generate Drug-Like Molecules
J. Chem. Inf. Model., 2016, 56 (10), pp 1885–1893 DOI: 10.1021/acs.jcim.6b00038 - Corey D. Broeckling, Andrea Ganna, Mark Layer, Kevin Brown, Ben Sutton, Erik Ingelsson, Graham Peers, and Jessica E. Prenni
Enabling Efficient and Confident Annotation of LC−MS Metabolomics Data through MS1 Spectrum and Time Prediction
Anal. Chem., 2016, 88 (18), pp 9226–9234 DOI: 10.1021/acs.analchem.6b02479 - Mariana González-Medina, Fernando D. Prieto-Martínez, John R. Owen and José L. Medina-Franco
Consensus Diversity Plots: a global diversity analysis of chemical libraries
Journal of Cheminformatics 20168:63 DOI: 10.1186/s13321-016-0176-9