🧵 At NeurIPS last year, we introduced Sequential Attachment-based Fragment Embeddings (SAFE), a novel line notation for chemical structures that reimagines SMILES strings as an unordered sequence of interconnected fragment blocks. youtu.be/oJsj5vWmD3c - ThreadSky

valenceai.bsky.social • 74 days ago

🧵 At NeurIPS last year, we introduced Sequential Attachment-based Fragment Embeddings (SAFE), a novel line notation for chemical structures that reimagines SMILES strings as an unordered sequence of interconnected fragment blocks.

https://youtu.be/oJsj5vWmD3c

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