Name
Abstract | ||
|---|---|---|
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. |
Year | DOI | Venue |
|---|---|---|
2017 | 10.1109/BIBM.2017.8218015 | 2017 IEEE INTERNATIONAL CONFERENCE ON BIOINFORMATICS AND BIOMEDICINE (BIBM) |
DocType | ISSN | Citations |
Conference | 2156-1125 | 0 |
PageRank | References | Authors |
0.34 | 0 | 3 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Petr Skoda | 1 | 39 | 9.56 |
| David Hoksza | 2 | 90 | 21.53 |
| Jan Jelinek | 3 | 4 | 2.61 |