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Property space:
scatter chart | bubble chart | boxplot | histogram
Structure space:
Venn diagram | Library similarity | Clustering | PMI plot | Dimensionality reduction | Similarity network | SAS map | Fragment analysis | Scaffold tree
Other tools:
Descriptor Calculator | Structure Standardiser | Sim/Sub-structure Search | Extract molecules from text | Name to Structure

IChemSpace

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There are 0 parameters in the input file, you can calculate the molecular descriptors using the tools/descriptors tool and reduce the dimensionality of the data using the ichemspace/reduction tool.

Properties scatter 2D/3D chart


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