SpecOpt (Nguyen & Ji, UIUC) reframes selectivity as its own design task: dock vs target…
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SpecOpt (Nguyen & Ji, UIUC) reframes selectivity as its own design task: dock vs target and off-targets, feed residue-aware contact deltas to an LLM, propose edits, gate by ADMET and selectivity. That is the loop we run around Chemistry42.https://arxiv.org/abs/2609.21165
Posted by Alex Zhavoronkov, PhD (aka Aleksandrs Zavoronkovs) (43.9k followers) 3 h ago · 13 likes · 937 views · view the original post on X. Kept by the AI Radar as AI research. Tools mentioned: arXiv.org.
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