Molecular Diversity and Similarity Analysis

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