From: AMBIT RESTful web services: an implementation of the OpenTox application programming interface
CDK descriptors | http://host:port/ambit2/algorithm/org.openscience.cdk.qsar.descriptors.molecular.* |
Weka [51] machine learning algorithms | |
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Toxtree [20] modules | |
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pKa [53] prediction | |
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Superservice | |
InChI | http://host:port/ambit2/algorithm/ambit2.descriptors.InChI?? |
MOPAC descriptors | |
 | MopacOriginalStructure |
3D structure optimization via MOPAC | |
SOME [57] | |
 | DescriptorSOMEShell |
MCSS | |
Fingerprints, used in similarity searching | |
Generate data for accelerating substructure search | |
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Retrieve structures from non-OpenTox online services |