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Quantitative Pharmacophore Models with Inductive Logic Programming

Three-dimensional models, or pharmacophores, describing Euclidean constraints on the location on small molecules of functional groups (like hydrophobic groups, hydrogen acceptors and donors, etc.), are often used in drug design to describe the medicinal activity of potential drugs (or ligands). This medicinal activity is produced by interaction of the functional groups on the ligand with a binding site on a tar...