HomeModulesCombinatorial chemistryDiversity/Similarity
Diversity/SimilarityGeneration of a virtual library
Diversity/Similarity
 

ChemoSoft is equipped with various
diversity sorting systems enabling it to flexibly adjust them to any customer's needs. Diversity
sorting procedures comprise structural diversity sorting (matrix maximization and stepwise elimination algorithms), Diversity of Heterocycles and Diversity of Plates. Each algorithm allows optimization of both
intra- and interlibrary diversities.

Selection by similarity is represented by a number of tools in ChemoSoft. They make it possible to select substances based on structural similarity (similarity, minimum dissimilarity selection and clustering by similarity), bioisoster similarity and descriptor (property) similarity space.



All the features of this section are minutely described in "Drug Design\Diversity\Similarity section".

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