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Found 2 papers, 1 papers with code
Re-evaluating Retrosynthesis Algorithms with Syntheseus
The planning of how to synthesize molecules, also known as retrosynthesis, has been a growing focus of the machine learning and chemistry communities in recent years.
Shapley explainability on the data manifold
Explainability in AI is crucial for model development, compliance with regulation, and providing operational nuance to predictions.
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