Re-evaluating Retrosynthesis Algorithms with Syntheseus
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Authors
Krzysztof Maziarz
Krzysztof Maziarz•Austin Tripp•Marwin Segler
Published
January 1, 2024
Abstract
Automated Synthesis Planning has recently re-emerged as a research area at the intersection of chemistry and machine learning. Despite the appearance of steady progress, we argue that imperfect benchmarks and...