Molecular discovery by optimal sequential search

DOI10.1007/S10910-019-01062-9zbMath1426.92021OpenAlexW2970762250MaRDI QIDQ2334495

Genyuan Li

Publication date: 7 November 2019

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-019-01062-9

zbMATH Keywords

efficient global optimizationdrug discoveryhigh throughput screeningoligonucleotidesoptimal sequential searchadditive Gaussian processmolecular discoveryparallel synthesisprotein G domain B1tyrosine derived biodegradable polymer

Mathematics Subject Classification ID

Chemistry (92E99) Biochemistry, molecular biology (92C40)

Uses Software

• EGO

Cites Work

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• Efficient global optimization of expensive black-box functions
• Sequential sampling strategy for extreme event statistics in nonlinear dynamical systems

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