process of calculating the LoCoHD score for a given pair of anchors (IMAGE)

Eötvös Loránd University

process of calculating the LoCoHD score for a given pair of anchors

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The figure shows the step-by-step process of calculating the LoCoHD score for a given pair of anchors. The chemical resolution is given by the primitive typing scheme, which is used to convert the real structure into a structure of primitive atoms (left). Then, by selecting two anchor atoms from the two primitive structures to be compared (in the middle, in green and turquoise), a number between 0 and 1 can be calculated using the formula seen above.

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Image: Eötvös Loránd University

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