The paper proposes a methodological approach to design complex experiments for multi-objective optimization. The strategy is based on evolutionary statistical inference to search for the optimal values in high-dimensional experimental spaces. We developed this approach to study a particular molecular system and discover the best molecules to be proposed as candidate drugs.
CITATION STYLE
Slanzi, D., Mameli, V., Khoroshiltseva, M., & Poli, I. (2018). Multi-objective optimization in high-dimensional molecular systems. In Communications in Computer and Information Science (Vol. 830, pp. 284–295). Springer Verlag. https://doi.org/10.1007/978-3-319-78658-2_21
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