Package | Description |
---|---|
ambit2.groupcontribution | |
ambit2.groupcontribution.fragmentation |
Modifier and Type | Method and Description |
---|---|
List<DescriptorInfo> |
GroupContributionModel.getDescriptors() |
List<DescriptorInfo> |
GCMParser.getGlobalDescriptorsFromString(String globDescr) |
List<DescriptorInfo> |
GCMParser.getGlobalDescriptorsFromString(String globDescr,
String separator) |
Modifier and Type | Method and Description |
---|---|
void |
GroupContributionModel.setDescriptors(List<DescriptorInfo> descriptors) |
Modifier and Type | Method and Description |
---|---|
static MatrixDouble |
Fragmentation.generateMultiplePropertyMatrix2(DataSet dataset,
List<DescriptorInfo> diList) |
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