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Using adversarial attacks to refine molecular energy predictions（图）
对抗性攻击 分子能量预测 量化神经网络 分子能量 不确定性
2023/6/7
Neural networks (NNs) are increasingly being used to predict new materials, the rate and yield of chemical reactions, and drug-target interactions, among others. For these applications, they are order...
FlexStem: improving predictions of RNA secondary structures with pseudoknots by reducing the search space
FlexStem: improving predictions RNA secondary structures pseudoknots reducing the search space
2013/7/17
RNA secondary structures with pseudoknots are often predicted by minimizing free energy, which is proved to be NP-hard.Due to kinetic reasons the real RNA secondary structure often has local instead o...