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Cathepsin B was selectively inhibited by the compounds in each series.
fraction of chemotypes required to retrieve 50% of the compounds in each database.
These databases can be related through the nature of the compounds in each cluster.
Table 1 summarizes the number of compounds in each compound set.
The solvent concentration of 60% ethanol was used to extract the phenolic compounds in each experimental run.
The measurements uncovered the presence of 4 to 11 different fungicide compounds in each of the 81 samples.
In theory, if the correlation matrices of two compound libraries are similar, compounds in each library would be similar too.
Here a graph is used to compare the numbers of active compounds in each of the assays.
The CYP450 dataset comprised 3743 training compounds, and 1870 compounds in each of the external test sets.
BioDICE has generated an interactive map of the input compounds and a list of the compounds in each detected cluster.
It does not seem to be connected to differences in the chemical diversity of the compounds in each data set.
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