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safe_pubchem_10m – Dataset by Derify | AlphaNeural AI

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Derify/
safe_pubchem_10m

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mask-generation

cheminformatics

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PubChem 10M - SAFE Dataset

This dataset is derived from the original PubChem 10M. SAFE (sequential attachment-based fragment embedding) representations were generated using safe-mol (0.1.13).

Dataset Overview:

Source: PubChem 10M SAFE representation: safe-mol (0.1.13) Total Entries: 10M SMILES