HiTSEE : a visualization tool for hit selection and analysis in high-throughput screening experiments

Bertini, Enrico; Strobelt, Hendrik; Braun, Joachim; Deussen, Oliver; Groth, Ulrich; Mayer, Thomas U.; Merhof, Dorit

HiTSEE : a visualization tool for hit selection and analysis in high-throughput screening experiments

Dateien

Deussen etal.pdfGröße: 4.57 MBDownloads: 845

Datum

2011

Publikationstyp

Beitrag zu einem Konferenzband

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2011 IEEE Symposium on Biological Data Visualization (BioVis).. IEEE, 2011, pp. 95-102. ISBN 978-1-4673-0003-2. Available under: doi: 10.1109/BioVis.2011.6094053

Zusammenfassung

We present HiTSEE (High-Throughput Screening Exploration Environment) a visualization tool for the analysis of large chemical screens for the analysis of biochemical processes. The tool supports the analysis of structure-activity relationships (SAR analysis) and, through a flexible interaction mechanism, the navigation of large chemical spaces. Our approach based on the projection of one or few molecules of interest and the expansion around their neighborhood allows for the exploration of large chemical libraries without the need to create an all encompassing overview of the whole library. We describe the requirements we collected during our collaboration with biologists and chemists, the design rationale behind the tool, and two case studies.

Fachgebiet (DDC)

004 Informatik

Konferenz

2011 IEEE Symposium on Biological Data Visualization (BioVis), 23. Okt. 2011 - 24. Okt. 2011, Providence, RI, USA

Zitieren

ISO 690

BERTINI, Enrico, Hendrik STROBELT, Joachim BRAUN, Oliver DEUSSEN, Ulrich GROTH, Thomas U. MAYER, Dorit MERHOF, 2011. HiTSEE : a visualization tool for hit selection and analysis in high-throughput screening experiments. 2011 IEEE Symposium on Biological Data Visualization (BioVis). Providence, RI, USA, 23. Okt. 2011 - 24. Okt. 2011. In: 2011 IEEE Symposium on Biological Data Visualization (BioVis).. IEEE, 2011, pp. 95-102. ISBN 978-1-4673-0003-2. Available under: doi: 10.1109/BioVis.2011.6094053

BibTex

@inproceedings{Bertini2011-10HiTSE-17738,
  year={2011},
  doi={10.1109/BioVis.2011.6094053},
  title={HiTSEE : a visualization tool for hit selection and analysis in high-throughput screening experiments},
  isbn={978-1-4673-0003-2},
  publisher={IEEE},
  booktitle={2011 IEEE Symposium on Biological Data Visualization (BioVis).},
  pages={95--102},
  author={Bertini, Enrico and Strobelt, Hendrik and Braun, Joachim and Deussen, Oliver and Groth, Ulrich and Mayer, Thomas U. and Merhof, Dorit}
}

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