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ActiMol
Actimol is a new line by TimTec 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.
Contact information:
Products/Services/Events:
| ActiGlobe-50 Collection |
| Description | The ActiGlobe-50 Collection is a pre-plated screening set of 50,000 compounds that has been assembled from world wide sources numbering over 2,000,000 compounds. In addition to adherence to Lipinski parameters,dozens of filters have eliminated undesirable atoms, functionality and fragments. Sampling of this filtered consolidated library is through Jarvis-Patrick clustering that selects molecules representative of a group (cluster) with similar structural features within this library. Molecular characterization is by 2D fragment descriptors, and groups of molecules are based on the structural similarity of fingerprints (bit strings of these fragments). The centroid of a cluster has the highest degree of similarity to other members of the group. Compounds that are chemically unique because of low similarity to other members of the collection are also identified (singletons). Sampling is done through centroid and singleton selection along with augmentation with other members from larger cluster groups |
| ActiProbe-10 Collection |
| Description | 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. The cost is $35,000 for the 0.5-mg and $45,000 for the 1 mg sets. |
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| Advanced info (url) | http://www.actimol.com/products/ActiProbe-10.htm |
| ActiProbe-25 Collection |
| Description | The ActiProbe-25 Collection is a pre-plated screening set of 25,000 compounds that has been assembled from molecules representative of the chemical diversity being produced by labs throughout the world. In addition to adherence to Lipinski parameters, dozens of filters have eliminated undesirable atoms, functionality and fragments in creating a library that will provide exceptionally good chemical starting points for hit and ADMET optimization.
Purity of compounds in this, and all our collections, is generally>/= 95% as determined by high-field 1H-NMR and/or MS. Spectra can be supplied on compounds in electronic format. This collection is available in Matrix plates with 1.4 mL removable tubes or CoStar 96-well microtiter plates with 80 compounds per plate.
Prices for ActiProbe-25 are $65,000 for 0.5 mg- and $85,000b for the 1 mg-sets |
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| Advanced info (url) | http://www.actimol.com/products/ActiProbe-25.htm |
| ActiTarg-G Collection |
| Description | The ActiTarg-G Collection is a pre-plated screening set of molecules that contain chemical lattices present in compounds reported in the technical or patent literature to possess GPCR-ligand properties. From our collection of over 7000 compounds in more than 15 different chemical series we have assembled a pre-filtered diversity collection of 1600 compounds (20 plates) that should provide a high value screening library of drug-like molecules for identifying synthesis direction for the development of new GPCR ligands. Structural constraints and novel pendants within these lattices provide the structural variability to identify new chemical directions for hit optimization.
ActiTarg-G is available in 0.5 and 1.0 mg portions in the plates described above. The cost is $20,000 for the 0.5 mg, and $25,500 for the 1-mg sets. |
| Advanced info (url) | http://www.actimol.com/products/ActiTarg-G.htm |
| ActiTarg-K Collection |
| Description | The ActiTarg-K Collection is a pre-plated screening set of molecules that contain chemical lattices present in compounds reported in the technical or patent literature to possess protein kinase inhibiting properties. From our collection of over 4000 compounds in a variety of different chemical series we have assembled a pre-filtered diversity collection of 960 compounds (12 plates) that should provide a high value screening library of drug-like molecules for identifying synthesis direction for new protein kinase inhibitors. Structural constraints and novel pendants within these molecules provide the structural variability to identify new chemical directions for hit optimization.
ActiTarg-G is available in 0.5 and 1.0 mg portions in the plates described above. The cost is $12,000 for the 0.5 mg, and $15,000 for the 1-mg sets. |
| Advanced info (url) | http://www.actimol.com/products/ActiTarg-K.htm |
| ActiTarg-P Collection |
| Description | The ActiTarg-P Collection is a pre-plated screening set of molecules that contain chemical lattices present in compounds reported in the technical or patent literature to possess various protease-inhibiting properties. From our collection of about 1100 compounds in several different chemical series we have assembled a pre-filtered diversity collection of 240 compounds (3 plates) that provide a screening library with drug-like representatives from each of these chemical series for identifying synthesis direction for new protease inhibitors. Structural constraints and novel pendants within these molecules provide the structural variability to identify new chemical directions for hit optimization.
ActiTarg-P is available in 0.5 and 1.0 mg portions in the plates described above. The cost is $3,000 for the 0.5 mg-, and $3,750 for the 1mg-sets. |
| Advanced info (url) | http://www.actimol.com/products/ActiTarg-P.htm |
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