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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

J. Aires-de-Sousa

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Open access Aug 2026

Chiral atom-centered scalar triple products for predicting enantiomer elution order in HPLC

It is demonstrated that chirality-sensitive molecular representations centered on stereogenic centers are highly effective for predicting enantioselectivity in chromatography and suggest potential applications in automated configuration assignment and quality control of chiral compounds.

Alexandre V. Costa, Abdulwahab Hussein, J. Aires-de-Sousa · 0 citations

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