Author

Krisztina Zsigmond

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Open access Sep 2026

Efficient visualization of chemical space

It is shown that basic properties of the metrics used in the original space can be used to infer the shape of the chemical space, which in turns suggests an optimal strategy to project chemical information to lower dimensions.

Akash Surendran, Krisztina Zsigmond, Le-Xin Chen et al. · Chemical Science · 0 citations