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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Contact Us

Phone: 302-292-8500
Fax: 302-292-8520

MyriaScreen II – diversity screening library from Sigma-Aldrich and TimTec
ApexScreen is a collection of 5,040 compounds that were selected to represent the diversity of TimTec stock
Chemistry reagents, HPLC columns, natural compounds
innovative software packages for chemical database management, chemical web server, structure drawing, diversity analysis, clustering, HTS and combinatorial chemistry, prediction of LogP/solubility/Pk, and Spectra Management