What question did this study set out to answer?

The aim is to provide necessary datasets for interpreting intramolecular interactions using molecular descriptors.

April 12, 2026Open Access

Dataset for: Revisiting Molecular Descriptors with TDiMS for Interpretable Intramolecular Interactions Based on Substructure Pairs

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Dataset provides molecular descriptors to interpret intramolecular interactions, supporting prior findings and analyses.

The aim is to provide necessary datasets for interpreting intramolecular interactions using molecular descriptors.
Deposited datasets include subsets used for Chromophore, QM9, and PubChemQC analyses.
Includes HAC-binned PubChemQC subsets for supplementary analyses.
Documentation provided for datasets detailing file contents and provenance.
Datasets allow verification and extension of findings related to molecular descriptors.
Source data for figures are included separately with the manuscript.

Hamada et al. (2026) studied this question.

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April 12, 2026Open Access

View Full Paper

Ask AI

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Authors

Dataset provides molecular descriptors to interpret intramolecular interactions, supporting prior findings and analyses.

The aim is to provide necessary datasets for interpreting intramolecular interactions using molecular descriptors.
Deposited datasets include subsets used for Chromophore, QM9, and PubChemQC analyses.
Includes HAC-binned PubChemQC subsets for supplementary analyses.
Documentation provided for datasets detailing file contents and provenance.
Datasets allow verification and extension of findings related to molecular descriptors.
Source data for figures are included separately with the manuscript.

Hamada et al. (2026) studied this question.

View Full Paper

Ask AI

Bookmark