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Datasets:
Derify
/
safe_druglike_QED_Pfizer_11m

Tasks:
Mask Generation
Feature Extraction
Text Generation
Modalities:
Text
Formats:
parquet
Size:
10M - 100M
Tags:
chemistry
smiles
cheminformatics
safe
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files
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@@ -26,4 +26,24 @@ configs:
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  path: data/validation-*
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  - split: test
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  path: data/test-*
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
 
 
 
 
 
 
 
 
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  path: data/validation-*
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  - split: test
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  path: data/test-*
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+ license: cc-by-4.0
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+ task_categories:
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+ - mask-generation
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+ - feature-extraction
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+ - text-generation
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+ tags:
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+ - chemistry
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+ - smiles
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+ - cheminformatics
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+ - safe
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+ pretty_name: SAFE Druglike QED Pfizer 11M
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+ size_categories:
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+ - 10M<n<100M
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  ---
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+
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+ ## Drug-like QED Pfizer 11M — SAFE Dataset
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+
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+ This dataset is derived from the [*Drug-like Molecule Datasets for Drug Discovery*](https://zenodo.org/records/7547717) collection. Molecular structures were converted to SAFE (Sequential Attachment-based Fragment Embedding) representations using **safe-mol v0.1.14**.
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+
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+ ## Source
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+ [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7547717.svg)](https://doi.org/10.5281/zenodo.7547717)