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Inorganic Chemistry

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Chemical discovery

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2 results in Keywords: Chemical discovery

Theoretical and Computational Chemistry

A Quantitative Uncertainty Metric Controls Error in Neural Network-Driven Chemical Discovery

Jon Paul Janet, Chenru Duan, Tzuhsiung Yang, Aditya Nandy, Heather Kulik

Version 2 posted 15 May 2019

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Theoretical and Computational Chemistry

From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery

Colm Burke, Hesam Makki, Alessandro Troisi

Version 1 posted 02 January 2024

342

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