/tools/aizynthfinder-seq2seq-transformer
aizynthfinder-seq2seq-transformer
c-vandenberg/aizynthfinder-seq2seq-transformer
2 stars0 forksPythonAdded February 8, 2026
summary
The AiZynthFinder Seq2Seq and Transformer Expansion Policies project enhances the AiZynthFinder tool by integrating SMILES-based retrosynthesis using advanced neural network architectures. This aims to improve the prediction of synthetic routes in drug discovery and chemical synthesis.
description
Research project and literature review focused on integrating SMILES-based retrosynthesis using attention-based encoder-decoder and transformer models into AstraZeneca’s AiZynthFinder retrosynthetic planning tool.
topics
astrazenecachemical-reactionscheminformaticschemistrymachine-learningsequence-to-sequencetransformer
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