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Open access Aug 2026

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

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-...

Zhe Xue, Wei Ai, Zhuang Miao et al. · 0 citations

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