Matches in DBpedia 2016-04 for { ?s ?p "SAMPL (Statistical Assessment of the Modeling of Proteins and Ligands) is a community-wide blind challenge to assess the performance of computational methods, solvent models and force fields. Previous testing systems include proteins, host-guest complexes, and small molecules. Properties related to rational drug design such as binding affinity and hydration free energy have been tested in the form of blind prediction, which means the experimental measurements are withheld from participants until the prediction submission deadline. The most recent SAMPL5 challenge contains two prediction categories: the binding thermodynamics of host-guest systems, and the partition coefficient of drug-like molecules."@en }
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- SAMPL_Challenge abstract "SAMPL (Statistical Assessment of the Modeling of Proteins and Ligands) is a community-wide blind challenge to assess the performance of computational methods, solvent models and force fields. Previous testing systems include proteins, host-guest complexes, and small molecules. Properties related to rational drug design such as binding affinity and hydration free energy have been tested in the form of blind prediction, which means the experimental measurements are withheld from participants until the prediction submission deadline. The most recent SAMPL5 challenge contains two prediction categories: the binding thermodynamics of host-guest systems, and the partition coefficient of drug-like molecules.".