Molecular discovery by optimal sequential search

DOI10.1007/S10910-019-01062-9MaRDI QIDQ2334495zbMATH OpenOpenAlexFDO

Authors 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

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

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Cites work

• Efficient global optimization of expensive black-box functions
• Entropy distribution and information content in DNA sequences
• Gaussian processes for machine learning.
• Sequential sampling strategy for extreme event statistics in nonlinear dynamical systems

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(7)

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• Chemical compound design using nuclear charge distributions
• A scalable algorithm for molecular property estimation in high dimensional scaffold-based libraries
• \(\mathcal G\)-SELC: optimization by sequential elimination of level combinations using genetic algorithms and Gaussian processes
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• Compounds, drugs and mathematical image processing
• scientific article; zbMATH DE number 1445315 (Why is no real title available?)

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• EGO

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