Published February 19, 2025
| Version v1
Dataset
Open
Results from Benchmarking Subsampling Approaches with DeepDelta Preprocessing
Description
These are results from 5x10 cross-fold evaluation of various subsampling strategies applied to the DeepDelta preprocessing approach for training a Chemprop model for several benchamrking datasets. The associated GitHub is available at https://github.com/RekerLab/ProdrugDesignPipeline.
Files
AqSol.zip
Files
(9.0 GB)
| Name | Size | Download all |
|---|---|---|
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md5:2472a70cf25a7fbbadf0b42bd97ae4c8
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4.7 GB | Preview Download |
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md5:e904fef694916bc14880693cedc87ab5
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219.7 MB | Preview Download |
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md5:da4cafe7b66b73b5177809ce8ea1ade6
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388.5 MB | Preview Download |
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md5:6e1e7d637d4549a3ba8ab2d63a714252
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1.9 GB | Preview Download |
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md5:a05917b95b4ac0a39446c288c6bb35c2
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555.6 MB | Preview Download |
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md5:463d47215efcbaa562a3731f2c159fa3
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375.3 MB | Preview Download |
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md5:f56039c5d38961d4e89cafde7d96a528
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367.0 MB | Preview Download |
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md5:94eae82e2bbd882b6a139bd678ad6089
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426.3 MB | Preview Download |
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md5:c1015cc9ed3680daba2a77134caa50a1
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116.6 MB | Preview Download |
Additional details
Software
- Repository URL
- https://github.com/RekerLab/ProdrugDesignPipeline
- Programming language
- Python
- Development Status
- Active