Published June 14, 2021
| Version v1
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Fast prediction of distances between synthetic routes with deep learning
Creators
Description
ML model for prediction distances between synthetic routes, trained on a set of 10k ChEMBL compounds.
input_files.zip contains the SMILES strings that were used to train and validate the model.
Files
input_smiles.zip
Files
(138.9 MB)
| Name | Size | Download all |
|---|---|---|
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md5:ab0cbd0134617537c15615ad9fc9f371
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138.5 MB | Download |
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md5:743af7ce51dd1bc2f08bf13780c2d2ec
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381.2 kB | Preview Download |