A Novel Method for Inferring Chemical Compounds With Prescribed Topological Substructures Based on Integer Programming

Jianshen Zhu, Naveed Ahmed Azam, Fan Zhang, Aleksandar Shurbevski, Kazuya Haraguchi, Liang Zhao 0013, Hiroshi Nagamochi, Tatsuya Akutsu. A Novel Method for Inferring Chemical Compounds With Prescribed Topological Substructures Based on Integer Programming. IEEE/ACM Trans. Comput. Biology Bioinform., 19(6):3233-3245, 2022. [doi]

Abstract

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