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The Chemical Checker (CC) is a data-driven resource of small molecule bioactivity data. The main goal of the CC is to express data in a format that can be used off-the-shelf in daily computational drug discovery tasks. The resource is organized in **5 levels** of increasing complexity, ranging from the chemical properties of the compounds to their clinical outcomes. In between, we consider targets, off-targets, perturbed biological networks and several cell-based assays, including gene expression, growth inhibition, and morphological profiles.
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The CC resource is ever-growing and maintained by the [Structural Bioinformatics & Network Biology Laboratory](http://sbnb.irbbarcelona.org) at the Institute for Research in Biomedicine ([IRB Barcelona](http://irbbarcelona.org)). Should you have any questions, please send an email to [miquel.duran@irbbarcelona.org](miquel.duran@irbbarcelona.org) or [patrick.aloy@irbbarcelona.org](patrick.aloy@irbbarcelona.org).
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The CC is maintained by the [Structural Bioinformatics & Network Biology Laboratory](http://sbnb.irbbarcelona.org) at the Institute for Research in Biomedicine ([IRB Barcelona](http://irbbarcelona.org)). Should you have any questions, please send an email to [miquel.duran@irbbarcelona.org](miquel.duran@irbbarcelona.org) or [patrick.aloy@irbbarcelona.org](patrick.aloy@irbbarcelona.org).
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This project was first presented to the scientific community in the following paper: [Duran-Frigola et al., *Extending the small molecule similarity principle to all levels of biology* (2019)](https://biorxiv.org/content/10.1101/745703v1), and has some [related publications](publications).
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## Source data and datasets
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The CC capitalizes on publicly-available bioactivity data fetched from many sources. We are committed to updating the resource **every 6 months** (versions named accordingly, e.g. `chemical_checker_2019_01`), incorporating the latest datasets, and adding new ones upon request and posterior evaluation by our team.
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The CC is built from public bioactivity data. We are committed to updating the resource **every 6 months** (versions named accordingly, e.g. `chemical_checker_2019_01`). New datasets may be incorporated upon request.
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The basic data unit of the CC is the *dataset*. There are 5 *levels* (`A` Chemistry, `B` Targets, `C` Networks, `D` Cells and `E` Clinics) and, in turn, each level is divided into 5 sublevels or *coordinates* (`A1`-`E5`), denoting different types or aspects of the data. Each dataset belongs to one and only one of the 25 coordinates, and each coordinate can have an arbitrary number of datasets (e.g. `A1.001`), one of which is selected as being *exemplary*.
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The basic data unit of the CC is the *dataset*. There are 5 data *levels* (`A` Chemistry, `B` Targets, `C` Networks, `D` Cells and `E` Clinics) and, in turn, each level is divided into 5 sublevels or *coordinates* (`A1`-`E5`). Each dataset belongs to one and only one of the 25 coordinates, and each coordinate can have a finite number of datasets (e.g. `A1.001`), one of which is selected as being *exemplary*.
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The CC is a chemistry-first biomedical resource and, as such, it contains several predefined compound collections that are of interest to drug discoverers, including approved drugs, natural products, and commercial screening libraries. test
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The CC is a chemistry-first biomedical resource and, as such, it contains several predefined compound collections that are of interest to drug discoverers, including approved drugs, natural products, and commercial screening libraries.
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For further information, please refer to:
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* [Bioactivity data sources](data)
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