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| Main Authors: | , , |
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| Format: | Preprint |
| Published: |
2023
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2311.06304 |
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Table of Contents:
- Computer-assisted methods have emerged as valuable tools for retrosynthesis analysis. However, quantifying the plausibility of generated retrosynthesis routes remains a challenging task. We introduce Retro-BLEU, a statistical metric adapted from the well-established BLEU score in machine translation, to evaluate the plausibility of retrosynthesis routes based on reaction template sequences analysis. We demonstrate the effectiveness of Retro-BLEU by applying it to a diverse set of retrosynthesis routes generated by state-of-the-art algorithms and compare the performance with other evaluation metrics. The results show that Retro-BLEU is capable of differentiating between plausible and implausible routes. Furthermore, we provide insights into the strengths and weaknesses of Retro-BLEU, paving the way for future developments and improvements in this field.