Karypis Lab: AFGen
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Description: Software tools for generating fragment-based descriptors for chemical compounds with applications to similarity search, virtual screening and library design.
AFGen: Fragment-based Descriptors for Chemical Compounds | Karypis Lab AFGen: Fragment-based Descriptors for Chemical Compounds Current version: 2.0.0, 5/12/2008 AFGen is a program that takes as input a set of chemical compounds and generates their vector-space representation based on the set of fragment-based descriptors they contain. The descriptor space consists of graph fragments that can have three different types of topologies: paths (PF), acyclic subgraphs (AF), and arbitrary topology subgraphs (GF). This vector-based representation can be used for different tasks in cheminformatics including similarity search, virtual screening, and library design.
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WEBSITE Info
| Page title: | AFGen: Fragment-based Descriptors for Chemical Compounds | Karypis Lab |
| Keywords: | karypis, clustering, data mining, bioinformatics, graph partitioning, ordering, fill-reducing ordering, nested disection, partitioning, mesh partitioning, parallel simulations, dynamic load-balancing, adaptive partitioning, hypergraph partitioning, circuit partitioning, parallel graph partitioning, parallel mesh partitioning, domain decomposition, software |
| Description: | clustering, data mining, bioinformatics, graph, mesh, and hypergraph partitioning software |
| IP-address: | 160.94.77.162 |
WHOIS Info
| NS | Name Servers: NS-AUTH-1.UMN.EDU 128.101.101.1, 2607:ea00:102:4801::53 NS-AUTH-REMOTE-1.UMN.EDU 140.142.16.240 |
| WHOIS | |
| Date | activated: 21-Jan-1987 last updated: 13-May-2013 expires: 31-Jul-2014 |