Molecular Retrosynthesis Top‐K Prediction Based on the Latent Generation Process

ABSTRACT In the field of organic synthesis, the core objective of retrosynthetic methods is to deduce possible synthetic routes and precursor molecules for complex target molecules. Traditional retrosynthetic methods, such as template‐based retrosynthesis, have high accuracy and interpretability in...

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Bibliographic Details

Published in:	CAAI Transactions on Intelligence Technology
Main Authors:	Yupeng Liu, Han Zhang, Rui Hu
Format:	Article
Language:	English
Published:	Wiley 2025-06-01
Subjects:	latent variable molecular retrosynthesis topology‐aware variational autoregressive decoder
Online Access:	https://doi.org/10.1049/cit2.70005