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20242026
most citedSSD Set System, Graph Decomposition and Hamiltonian Cycle

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physics.chem-ph2025

Towards Environment-Sensitive Molecular Inference via Mixed Integer Linear Programming

Jianshen Zhu, Mao Takekida, Naveed Ahmed Azam +3

Traditional QSAR/QSPR and inverse QSAR/QSPR methods often assume that chemical properties are dictated by single molecules, overlooking the influence of molecular interactions and…