Platform for ligand-based virtual screening integration

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F17%3A10368583" target="_blank" >RIV/00216208:11320/17:10368583 - isvavai.cz</a>

Result on the web

<a href="https://doi.org/10.1109/BIBM.2017.8218015" target="_blank" >https://doi.org/10.1109/BIBM.2017.8218015</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1109/BIBM.2017.8218015" target="_blank" >10.1109/BIBM.2017.8218015</a>

Result language

angličtina

Original language name

Platform for ligand-based virtual screening integration

Original language description

Ligand-based Virtual screening became a standard in-silico complement to the wet laboratory screening in small molecules discovery. It utilizes prior knowledge about molecules to rank a set of candidate molecules with yet unknown activity. Virtual screening software is often implemented as a specialized screening tool or as a part of a drug-discovery suite where ligand-based screening is one of the available tools. There exist many approaches to virtual screening, but although there exist several free-to-use screening tools, these tools usually provide only single approach to screening or do not provide user with aggregated analyses of multiple (preferably state-of-the-art) screening approaches. Such a functionality would be useful since different screening approaches yield different ranking of the candidate molecules. To the best of our knowledge there is no freely available, easy-to-use, tool that would allow to apply multiple screening approaches to a dataset and subsequently facilitate integration and interpretation of the results. Here, we present the first version of such a tool called ViSeT, available at https://github.com/skodapetr/viset under the MIT licence. ViSeT is a web-based, extensible, ligand-based virtual screening tool supporting multiple screening approaches and subsequent analysis of the results.

Czech name

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Czech description

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Type

D - Article in proceedings

CEP classification

—

OECD FORD branch

10201 - Computer sciences, information science, bioinformathics (hardware development to be 2.2, social aspect to be 5.8)

Project

—

Continuities

S - Specificky vyzkum na vysokych skolach

Publication year

2017

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Article name in the collection

2017 IEEE International Conference on Bioinformatics and Biomedicine

ISBN

978-1-5090-3050-7

ISSN

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e-ISSN

neuvedeno

Number of pages

4

Pages from-to

2256-2259

Publisher name

IEEE (The Institute of Electrical and Electronics Engineers)

Place of publication

Neuveden

Event location

Kansas City, MO, USA

Event date

Nov 13, 2017

Type of event by nationality

WRD - Celosvětová akce

UT code for WoS article

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