1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024
Balancing property optimization and constraint satisfaction for constrained multi-property molecular optimization
Xin Xia, Yajie Zhang, Xiangxiang Zeng +3
Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence tec…
q-bio.BM2022★ 1 cited
Molecule optimization via multi-objective evolutionary in implicit chemical space
Xin Xia, Yansen Su, Chunhou Zheng +1
Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce…