Article

An Expert-Augmented Deep Learning Approach for Synthesis Route Evaluation

2025-04-17

Abstract excerpt

<title>Abstract</title> <p>Selection of efficient multi-step synthesis routes is a fundamental challenge in organic synthesis. Comparing different routes involves numerous parameters, economic considerations, and integration of nuanced chemical knowledge. While computer-aided synthesis planning (CASP) tools can generate synthetic routes, evaluating their overall feasibility and quality continues to rely heavily o...

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Literature Corpus work: 7552385f-a918-5a58-844a-103d4ecfbd78
DOI: 10.21203/rs.3.rs-6106987/v1

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