Emerging Conformational-Analysis Protocols from the RTCONF55-16K Reaction Thermochemistry Conformational Benchmark Set.

J Chem Theory Comput · 2024 · PMC11498139 · PMID 38899777

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hedged sentence

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closest p

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boldest claim

The sentences

quite significantno p-value reported

The resulting errors are quite significant on average (MAE = 2.6 kcal/mol, RMSE = 5.1 kcal/mol), and the maximum error is even more alarming (reaction r39, 20.5 kcal/mol).

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