Published September 16, 2022
| Version Drugex_v3.2.0-dev1_graph_Papyrus_v05.5
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DrugEx v3 pretrained model (graph-based; Papyrus 05.5)
Contributors
Project leader:
- 1. LACDR, Leiden University
Description
This graph-model was built with version v3.2.0-dev1 of DrugEx. The dataset used to build this model was Papyrus version 05.5.
Parameters and command lines used to prepare the data and fit the model are included.
Files
DrugEx_PT_Papyrus05.5.zip
Files
(134.1 MB)
| Name | Size | Download all |
|---|---|---|
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md5:c8d1c3b57ccd84b8c30bb166dc461b14
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Additional details
Related works
- Is compiled by
- Software: 10.5281/zenodo.7113194 (DOI)
- Is derived from
- Dataset: 10.5281/zenodo.7019874 (DOI)
- References
- Preprint: 10.26434/chemrxiv-2021-px6kz (DOI)
- Preprint: 10.26434/chemrxiv-2021-1rxhk (DOI)