ActiMol Series

ActiMol Compound Collections is a new line of screening products based on rigorous structural fragment filtration and diversity selection that promise to improve the quality and efficiency of hit/lead identification and optimization. List of ActiMol Products

ActiProbe-10 Collection

Home ] ActiProbe-25 ] [ ActiProbe-10 ] ActiTarg-G ] ActiTarg-K ] ActiTarg-P ]

The ActiProbe-10 Collection is a pre-plated screening set of 10,000 compounds that has been assembled from the ActiProbe-25 library through Jarvis-Patrick clustering. J-P clustering permits sampling of large library pools through selection of molecules that are representative of a group (cluster) within this library. Molecular characterization is by 2D fragment descriptors consisting of a central atom and neighboring atoms connected to it within a predefined sphere size -- bonds between central and edge atoms. Groups of molecules are based on the structural similarity of fingerprints (bit strings of these fragments), and the centroid has the highest degree of similarity to other members of a cluster. Chemically unique compounds (singletons) with low similarity to other members of the collection are also identified. Sampling libraries are created from centroid and singleton selection along with augmentation with other members from the largest groups.

ActiProbe-10 is also available in 0.5 and 1.0 mg portions in the plates described above. Contact us for pricing.

 

 
 
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