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jCompoundMapper 1.0

Company: jCompoundMapper Team
Date Added: December 01, 2013  |  Visits: 218

jCompoundMapper

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* jCompoundMapper provides popular fingerprinting algorithms for chemical graphs such as depth-first search fingerprints, shortest-path fingerprints, extended connectivity fingerprints, autocorrelation fingerprints (e.g. CATS2D), radial fingerprints (e.g. Molprint2D), geometrical Molprint, atom pairs, and pharmacophore fingerprints<br /> * jCompoundMapper provides exporters for several formats for machine learning tools such as LIBSVM, LIBLINEAR, and WEKA.<br /> * jCompoundMapper allows for a parameterization like search depth, distance cut-offs, or atom typing. In case of hashed fingerprints you may configure the size of the hash space.<br /> * jCompoundMapper for the computation of similarity matrices for clustering approaches or as input format for LIBSVM<br /> * jCompoundMapper can be used as a lightweight jar library or a stand-alone executable<br /> * jCompoundMapper is solely based on open source software with a liberal license. It uses the chemical expert system of the Chemistry Development Kit.

Requirements: No special requirements
Platforms: Mac, Mac OSX
Keyword: Approaches Chemical Clustering Computation Configure Executable Expert Fingerprints Format Hashed Input Jcompoundmapper Libsvm Lightweight Matrices Search Similarity Space Typing
Users rating: 0/10

License: Freeware Size: 10.12 MB
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