Pareto optimal fronts of kinetic proofreading
Biological processes such as DNA replication, RNA transcription, and protein translation operate with remarkable speed and accuracy in selecting the right substrate from pools of chemically identical molecules. This result is obtained by non-equilibrium reactions that dissipate chemical energy.
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Generative Multiobjective Bayesian Optimization with Scalable Batch Evaluations for Sample-Efficient De Novo Molecular Design. [PDF]
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The geometry of the Pareto front in biological phenotype space. [PDF]
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Chemically-informed active learning enables data-efficient multi-objective optimization of self-healing polyurethanes. [PDF]
Liang K, Qi X, Xiao X, Wang L, Zhang J.
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