People have investigated quantum group in certain aspects for a long time. However, they most limited themselves to pure grouptheoretical or physical approaches and caused so many proterties of quantum group haven't been explored until now. As a generalization of classical Lie group and basic symmetrical concepts of Lie algebra, quantum group shows its particular advantages in solving non-commutative and non-symmetrical problems. Hence this paper introduced quantum group into machine learning and researched on quantum group classifier in Lie group machine learning. The content is as follows:1. The method to design quantum group classifier in Lie group machine learning is given;2. The quantum group based learning algorithms are given, including symmetrical linear transform learning algorithm, quantum group generators based molecular matching algorithm and quantum group isomorphism based pharmacophore matching algorithm;3. The application of computer aided drug molecular design based on quantum group learning algorithms are given, including gene classification, molecular docking and furthermore completed the design of 3D molecuar searching system based on quantum group.Through the work of this paper, on one hand, the application in machine learning is found for quantum group and further enriched Lie group machine learning; on the other hand, the method of quantum group learning is introduced to drug molecular design, and a primary computer aided 3D molecular searching system is completed. This is an innvonation to computer aided drug molecular design.
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