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FRAGMENTA: Efficient End-to-end Fragmentation-based Generative Model with Agentic Tuning for Drug Lead Optimization in Small Data Regime
Yuto Suzuki, Paul Awolade, Daniel V. LaBarbera +1
Molecule generation from extremely limited training data is a key challenge in drug discovery. Existing fragment-based methods are more suitable than atom-based approaches in this…
cs.AI2025
Universe of Thoughts: A Computational Framework for Creative Reasoning in Large Language Models
Yuto Suzuki, Farnoush Banaei-Kashani
Recent advances in Large Language Model (LLM) reasoning have improved conventional problem solving, but creative reasoning remains comparatively underexplored. Inspired by cognitiv…