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Chemogenomics is a growing field that aims to integrate the chemical and target spaces. As part of a multi‐disciplinary effort to achieve this goal, computational methods initially developed to visualize the chemical space of compound collections and mine single‐target structure‐activity relationships, are being adapted to visualize and mine complex relationships in chemogenomics data sets. Similarly,...
The ability of small molecules to interact with multiple proteins is referred to as polypharmacology. This property is often linked to the therapeutic action of drugs but it is known also to be responsible for many of their side effects. Because of its importance, the development of computational methods that can predict drug polypharmacology has become an important line of research that led recently...
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