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The most active compound in each class training set showed a good fit with all features of the pharmacophore proposed.
The fractional mass of compound in cytoplasmic (or plasma) membranes, lysosomes and mitochondria was calculated based on the mass of compound in each compartment divided by the total mass of compound in these three compartments, at steady state.
A score of 10 means that the target was predicted for that compound in each of the ten runs of the Parzen-Rosenblatt method, using the same partitions as for Table 1, and corresponds to dark blue shading.
A set of conformations for each compound in each training set was also generated within the pharmacophore development program Catalyst.
The first compound in each sector was selected by spinning a bottle in the clockwise direction.
The proportion of compound in each state within the above-mentioned equilibrium depends strongly on the experimental conditions.
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Table 1 summarizes the number of compounds in each compound set.
These databases can be related through the nature of the compounds in each cluster.
fraction of chemotypes required to retrieve 50% of the compounds in each database.
Cathepsin B was selectively inhibited by the compounds in each series.
In theory, if the correlation matrices of two compound libraries are similar, compounds in each library would be similar too.
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