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Showing 1 to 1 of 1 for “"Scaffold Perception"”.
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Scaffold Perception, ComPharmacophore Model Development, And Quantitative Structure-Affinity Relationships Of Sigma Site Ligands
… were assembled and clustered by measures of scaffold dissimilarity. Multiple-Instance Learning techniques were used to train classification models that differentiated molecules as active or inactive, and to assist in the identification of relevant conformations of σ ligands at their …