Uses of Class
com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTree
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Packages that use PharmacophoreTree Package Description com.actelion.research.chem.descriptor.pharmacophoretree -
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Uses of PharmacophoreTree in com.actelion.research.chem.descriptor.pharmacophoretree
Fields in com.actelion.research.chem.descriptor.pharmacophoretree declared as PharmacophoreTree Modifier and Type Field Description static PharmacophoreTree
DescriptorHandlerPTree. FAILED_OBJECT
Methods in com.actelion.research.chem.descriptor.pharmacophoretree that return PharmacophoreTree Modifier and Type Method Description PharmacophoreTree
DescriptorHandlerPTree. createDescriptor(StereoMolecule mol)
PharmacophoreTree
DescriptorHandlerPTree. decode(byte[] arr)
PharmacophoreTree
DescriptorHandlerPTree. decode(java.lang.String s)
static PharmacophoreTree
PharmacophoreTreeGenerator. generate(StereoMolecule mol)
static PharmacophoreTree
PharmacophoreTreeGenerator. generate(StereoMolecule mol, java.util.Map<java.lang.Integer,java.util.List<java.lang.Integer>> atomToNodes, java.util.List<java.util.Set<java.lang.Integer>> rings)
the parameter rings can be used for fragments/building blocks to submit atoms that will belong to a ring after they reactMethods in com.actelion.research.chem.descriptor.pharmacophoretree that return types with arguments of type PharmacophoreTree Modifier and Type Method Description DescriptorHandler<PharmacophoreTree,StereoMolecule>
DescriptorHandlerPTree. getThreadSafeCopy()
Methods in com.actelion.research.chem.descriptor.pharmacophoretree with parameters of type PharmacophoreTree Modifier and Type Method Description boolean
DescriptorHandlerPTree. calculationFailed(PharmacophoreTree o)
java.lang.String
DescriptorHandlerPTree. encode(PharmacophoreTree pTree)
double
PharmacophoreTree. getDirectSim(PharmacophoreTree pTree2)
float
DescriptorHandlerPTree. getSimilarity(PharmacophoreTree pt1, PharmacophoreTree pt2)
Constructors in com.actelion.research.chem.descriptor.pharmacophoretree with parameters of type PharmacophoreTree Constructor Description TreeMatcher(PharmacophoreTree queryTree, PharmacophoreTree baseTree)
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