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Structural versus Experimental Differentiation - Dependence on Structure-Derived Descriptor Used

Structural versus Experimental Differentiation - Dependence on Structure-Derived Descriptor Used [Pg.37]

The goal of differentiation, such as via clustering using descriptors derived from chemical structures, is to produce an end result as dose as possible to the result that [Pg.37]

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Derivative Structure

Experimental use

Structural derivation

Structural descriptors

Structure descriptor

Structure, dependence