Molecular discovery by optimal sequential search

DOI10.1007/S10910-019-01062-9zbMATH Open1426.92021OpenAlexW2970762250MaRDI QIDQ2334495FDOQ2334495

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

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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)

Cites Work

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

Cited In (7)

• The knowledge-gradient algorithm for sequencing experiments in drug discovery
• 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
• Title not available (Why is that?)
• Compounds, drugs and mathematical image processing
• Title not available (Why is that?)

Uses Software

• EGO

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