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safe_druglike_QED_33M

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Mask Generation

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safe_druglike_QED_33M

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---
license: cc-by-4.0
task_categories:
- mask-generation
tags:
- chemistry
- smiles
- cheminformatics
pretty_name: SAFE Druglike QED 33M
size_categories:
- 10M<n<100M
---

# Druglike QED 36M - SAFE Dataset  

This dataset is derived from [Druglike molecule datasets for drug discovery](https://zenodo.org/records/7547717). SAFE (sequential attachment-based fragment embedding) representations were generated using **safe-mol (0.1.13)**.  

### Dataset Overview:  
- **Source:** [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7547717.svg)](https://doi.org/10.5281/zenodo.7547717)
- **SAFE representation:** safe-mol (0.1.13) 
- **Total Entries:** **33M SMILES**