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Diversity and Similarity Analysis Services |
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Molecular Diversity Analysis,
Comparing and sorting databases by
diversity, Heterocycles diversity
analysis and database generation. |
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Phone:1-302-292-8500 Fax
302-292-8520
Email
info@timtec.net
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Molecular Diversity and Similarity
Analysis Services
- Molecular Diversity Analysis
- Comparing and sorting databases
by diversity
- Calculation of similarity
indexes for any chemical compound
with all compounds in any database
- Calculation of the complete
similarity matrix for any database
of chemical compounds
- Estimation of the whole
diversity of any database of
chemical compounds
- Selection of a diverse subset of
compounds from any database of
chemical compounds
- Selective import of a subset of
dissimilar compounds from external
database
- Heterocycles diversity analysis
- Heterocycles database generation
- Sorting databases by
heterocycles diversity
Algorithms Used in Calculations
- Centroid algorithm
- Cluster Sampling
- Sum(Min.Dissimilarities)
maximization
- Min.Dissimilarities maximization
- Sum(Dissimilarities)
maximization
- Stepwise Elimination
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