Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries.

ABSTRACT: Combinatorial libraries continue to play a key role in drug discovery. To increase structural diversity, several experimental methods have been developed. However, limited efforts have been performed so far to quantify the diversity of the broadly used diversity-oriented synthetic libraries. Herein, we report a comprehensive characterization of 15 bis-diazacyclic combinatorial libraries obtained through libraries from libraries, which is a diversity-oriented synthetic approach. Using MACCS keys, radial and different pharmacophoric fingerprints as well as six molecular properties, it was demonstrated the increased structural and property diversity of the libraries from libraries over the individual libraries. Comparison of the libraries to existing drugs, NCI diversity, and the Molecular Li

SUBMITTER: Lopez-Vallejo F 

PROVIDER: S-EPMC3077462 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature