Recently, the results of"Huawei Cup" the 18th China Postgraduate Mathematical Contest in Modelingwere published. Two teams of SIM postgraduates won the national first and second prizes, and achieved the best results in the history of this contest.
The team of Miaomiao Chen (team leader) , Ran Sun and other graduate students won the national first prize, which was one of the three teams that won the national first prize in Wuhan University. The team comprehensively used correlation analysis, various sorting methods, machine learning and deep learning algorithms, particle swarm optimization, main objective method and so on to carry out quantitative analysis and mathematical modeling for the optimization of candidate pharmaceuticals against breast cancer, processed and analyzed the molecular descriptors, biological activities and ADMET properties of the given 1974 compounds, searched for molecular descriptors that had important influence on biological activities, built quantitative prediction models of biological activities of compounds and classified prediction models of ADMET properties, and built target optimization models, based on the two models, to determine the specific molecular descriptor range.
Miaomiao Chen (first from left) , Ran Sun and Qishun Mei (first from right)
The team of Qishun Mei won the national second prize. Aiming at the optimization modeling of candidate pharmaceuticals against breast cancer, this team considered the importance ranking of molecular descriptor variables to biological activity, quantitative prediction of biological activity, classification of compound attributes and optimization of compound molecular descriptors. Various data mining and machine learning algorithms were used to build the model and solve it, including random forest, recursive feature elimination, decoupling neural network and other methods.
Both teams focused on the optimization modeling of candidate pharmaceuticals against breast cancer, combined with professional knowledge, and used machine learning to solve the problem, which was a good attempt to integrate theory with practice. Under the background of Healthy China, combining the theory and methods of information management with health science can provide information resources organization management and service support for health management.
The China Postgraduate Mathematical Contest in Modelingis one of the theme events of ChinaPostgraduateInnovative Practice Series Contests, which is of great significance for improving students' comprehensive ability to build mathematical models and solve practical problems with computer technology, and cultivating their innovative spirit and cooperation consciousness. This contest attracted a total of 17,692 teams of graduate students from all over the country.