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FTrees 2.3.0


Description of

FTrees


Molecule analysis made easy. FTrees has been reported to be highly successful in numerous projects by various customers in1. lead finding,2. HTS analysis, and3. general virtual screening applications.FTrees is a piece of program for calculating the Feature Tree descriptor and comparing two or more of these descriptors to each other. The capability to detect novel molecular scaffolds is one of several features that charaterizes FTrees abilities.Molecular similarity is one of the major concepts in the design of new drugs. This is especially the case if no three-dimensional structure of the target protein is available. It is then necessary to search for new lead structures via screening or to derive them from known inhibitors or natural substrates.FTrees Features:1. Wizards to guide users through the most crucial steps of molecule conversion, comparison and clustering2. A new introduction to FTrees in the form of a tutorial - in fact in you are new to FTrees, finish reading this section and make a start there!3. New comparison algorithm Dynamic Match-Search including subgraph matching feature4. Conformation independent molecule handling giving full SMILES and SD format support5. User accessible molecule preparation tools managed via SMARTSTM6. Stablized windows version plus an installer script7. Output of molecule-based alignment information8. Similarity threshold filtering of results9. Hierarchical clustering module10. Increased in-memory Feature Tree capacity and large file support


Published by: biosolveit.de
Downloads: 464
File Size: 6.5 MB
License: Freeware
Product Homepage: Visit biosolveit.de
Release Date: 31 October, 2012
OS: Windows
Download Location: Primary Download Link Broken? Report it!


FTrees 2.3.0 Download Tags:
Docking    ultra-fast docking    high-throughput docking    Screening    high-throughput screening    Scoring    protein-ligand complex    binding-mode prediction    incremental construction

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