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Quantum Descriptor-Based Machine-Learning Modeling of Thermal Hazard of Cyclic Sulfamidates.

J Chem Inf Model · 2025 · PMC12381854 · PMID 40814722

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more or less significantno p-value reported
Depending on the property in question, this dependence can be more or less significant. , We thus rely on averaging and determine the properties by Boltzmann averaging over relevant and representative conformer ensembles.

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