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Update data authored by Miquel Duran-Frigola's avatar Miquel Duran-Frigola
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...@@ -24,6 +24,7 @@ To identify new datasets of your interest, we recommend visiting the [NAR Online ...@@ -24,6 +24,7 @@ To identify new datasets of your interest, we recommend visiting the [NAR Online
### `B` Targets ### `B` Targets
* [X] BindingDB [[paper](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702793/) [data](https://www.bindingdb.org/)]. Chemical-protein binding data (patents). * [X] BindingDB [[paper](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702793/) [data](https://www.bindingdb.org/)]. Chemical-protein binding data (patents).
* [ ] Cando [[paper](https://www.biorxiv.org/content/10.1101/845545v1.full)]. Docking signatures of compounds. 14k protein structures are used.
* [X] ChEMBL [[paper](https://academic.oup.com/nar/article/45/D1/D945/2605707) [data](https://www.ebi.ac.uk/chembl/)]. Known drug targets. Drug metabolizing enzymes. Chemical-protein binding. Chemical-target-based assay activity. * [X] ChEMBL [[paper](https://academic.oup.com/nar/article/45/D1/D945/2605707) [data](https://www.ebi.ac.uk/chembl/)]. Known drug targets. Drug metabolizing enzymes. Chemical-protein binding. Chemical-target-based assay activity.
* [X] ChEMBL drug target predictor [[blog](http://chembl.blogspot.com/2016/03/target-prediction-models-update.html) [code](https://github.com/madgpap/notebooks/blob/master/target_pred_21_demo.ipynb)] * [X] ChEMBL drug target predictor [[blog](http://chembl.blogspot.com/2016/03/target-prediction-models-update.html) [code](https://github.com/madgpap/notebooks/blob/master/target_pred_21_demo.ipynb)]
* [ ] Comparative Toxicogenomics Database (CTD) [[paper](https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gky868/5106145) [data](http://ctdbase.org/)]. Chemical-gene interaction data, including regulatory interactions. * [ ] Comparative Toxicogenomics Database (CTD) [[paper](https://academic.oup.com/nar/advance-article/doi/10.1093/nar/gky868/5106145) [data](http://ctdbase.org/)]. Chemical-gene interaction data, including regulatory interactions.
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