Distinguishing between pan assay interference compounds (PAINS) that are promiscuous or represent dark chemical matter - data set and prediction models
| Main Authors: | Jasial, Swarit, Gilberg, Erik, Blaschke, Thomas, Bajorath, Jürgen |
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| Format: | info dataset Journal |
| Terbitan: |
, 2018
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/1453913 |
Daftar Isi:
- Data sets of promiscuous PAINS (PROM_PAINS) and dark chemical matter PAINS (DCM_PAINS) are provided and support vector machine models built on the basis of original and balanced training data (see readme.txt).