Chemical XAI to Discover Probable Compounds' Spaces Based on Mixture of Multiple Mutated Exemplars and Bioassay Existence Ratio

Takashi Isobe, Yoshihiro Okada. Chemical XAI to Discover Probable Compounds' Spaces Based on Mixture of Multiple Mutated Exemplars and Bioassay Existence Ratio. In Surya Nepal, Wenqi Cao, Aziz Nasridinov, Md. Zakirul Alam Bhuiyan, Xuan Guo, Liang-Jie Zhang, editors, Big Data - BigData 2020 - 9th International Conference, Held as Part of the Services Conference Federation, SCF 2020, Honolulu, HI, USA, September 18-20, 2020, Proceedings. Volume 12402 of Lecture Notes in Computer Science, pages 177-189, Springer, 2020. [doi]