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From each of these sets of actives, the 100 most diverse compounds were chosen using the diversity picker of RDKit [42] resulting in total 5000 actives.
Although a noble metal, gold can form many diverse compounds.
Primarily, kinetic experiments of diverse compounds were explored.
Plants from the genus Zapoteca (Fabaceae) have been the origin of diverse compounds with antiprotozoal activities.
We, therefore, conclude that we have predicted diverse compounds that can potentially act as anti-tb.
The root mean square (rms) deviation is 18 K for different classes of amines including 133 diverse compounds.
Plasma concentration-time profiles in rats from structurally diverse compounds were extracted from the Pfizer database.
After ingestion, they are metabolized into diverse compounds in the gut.
Using this synthesis a number of diverse compounds was synthesized with altered target specificity.
Most diverse compounds were synthesized at seedling stage and OACs were accumulated more at flowering followed by seedling stage.
The authors provide 100 structural diverse compounds, with five numeric features that are stored in the dataset.
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