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

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Liliana Garcia

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Open access Aug 2026

Euclidean Embedding of Reaction Networks for Dimensionality Reduction of Chemical Spaces.

Exploring complex chemical reactions is challenging due to the high dimensionality of potential energy surfaces (PESs). Stoichiometry-preserving reaction networks (RNs), constructed using bond-breaking and bond-forming rules, provide a discrete representation of chemical space with an underlying low-dimensional metric...

M. M. Stulajter, Liliana Garcia, Kent Ziti et al. · 0 citations

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