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This directory contains 3 workflows.
TeachOpenCADD_Workflow4_Similarity_search
In virtual screening (VS), compounds similar to known ligands of a target under investigation often build the starting point for drug development. This […]
TeachOpenCADD_Workflow4_Similarity_search1
In virtual screening (VS), compounds similar to known ligands of a target under investigation often build the starting point for drug development. This […]
TeachOpenCADD_Workflow5_Compound_clustering
Clustering can be used to identify groups of similar compounds, in order to pick a set of diverse compounds from these clusters for e.g. non-redundant […]