Data sets for compound promiscuity analysis and predictions
| Main Authors: | Feldmann, Christian, Yonchev, Dimitar, Bajorath, Jürgen |
|---|---|
| Format: | info dataset Journal |
| Terbitan: |
, 2020
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| Online Access: |
https://zenodo.org/record/4322921 |
Daftar Isi:
- Deposited are three data sets containing compounds with multi- or single-target activity, which were assembled from the PubChem BioAssay database for promiscuity predictions [1]. The design and composition of these data sets are described in the original publication [1] and a forthcoming data note detailing the deposition. A brief summary of the data structure is provided in the readme.txt file accompanying the data sets.