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Advances in Relevant Descriptor Selection
Abstract
During the last few decades the number of available molecular descriptors has grown exponentially. A reduced set of descriptors, containing only relevant descriptors, enables better understanding of the interaction between the molecule and some biological entity and in turn, it enables more reliable molecular modeling and chemical database mining. As a consequence, many new off-line and on-line descriptor selection methods have emerged. Overview of the most important feature selection methods, their advantages, disadvantages and applications in SAR and QSAR is given.
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