COMPASS II: extended coverage for polymer and drug-like molecule databases

By Huai Sun, Zhaohui Jin, Chunwei Yang, Reinier L. C. Akkermans, Struan H. Robertson, N. A. Spenley, Simon Miller, Stephen M Todd. Journal of Molecular Modeling, 2016

926 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Organic Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/89dc7f9fb4d12dab9dbdad93aa9a71d2ca72fd42

How researchers see this paper

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In Organic Chemistry

1. Struan H. Robertson
2. Reinier L. C. Akkermans
3. N. A. Spenley

Citations in the corpus

• COMPASS III: automated fitting workflows and extension to ionic liquids (2020, methodology): “In earlier work [7] the statistical analysis has been applied to unweighted data, and is dominated by the interaction terms within carbohydrate fragments (e.”