Article

A multi-agent molecular optimization framework leads to a rapid-recovery intravenous anesthetic candidate with an improved safety margin

2026-08-20

Abstract excerpt

Lead optimization, the systematic refinement of therapeutic compounds through iterative structural modification, faces a dual challenge in modern drug discovery: navigating astronomically vast molecular design spaces while balancing conflicting demands on potency, pharmacokinetics, and safety. We present MASCOT (Multi-Agent SearCh for molecular OpTimization), a role-specialized multi-agent framework for molecular...

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Literature Corpus work: 064d0c5f-c85e-59b6-8b4e-93b957a2a953
DOI: 10.64898/2026.08.17.745149

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