A new 3D ligand activity surfaced-based similarity tool gives users the power to quickly screen large datasets for structurally diverse active molecules. This proven scaffold-hopping capability is possible because eHiTS LASSO uses chemical features, not just 2D or 3D structural similarity, of active ligands to rapidly identify molecules with potentially similar activity. eHiTS LASSO provides a very easy-to-use training utility that will capture the chemical features of your active molecules and uses this information to look for molecules with similar features. eHiTS LASSO ships with a large set of pre-trained knowledge files that can have you screening databases within minutes of installing the software.
eHiTS Lasso
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