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An Explainable and Accurate Pungency Prediction Model Based on Ensemble Machine Learning Embedded with Quantum Chemistry Knowledge

https://doi.org/10.2139/ssrn.4770185
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Quantitative Structure‐Property Relationship Modelling for the Prediction of Singlet Oxygen Generation by Heavy‐Atom‐Free BODIPY Photosensitizers**
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Similarities and Differences in the Structure−Activity Relationships of Capsaicin and Resiniferatoxin Analogues
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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
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Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
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Density-functional thermochemistry. III. The role of exact exchange
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Predicting pungency and understanding the pungency mechanism of capsaicinoids using TOPS-MODE approach
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Random decision forests
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The central role of density functional theory in the AI age
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Content of capsaicin extracted from hot pepper (Capsicum annuum ssp. microcarpum L.) and its use as an ecopesticide
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Chemical and Pharmacological Aspects of Capsaicin
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A Unified Approach to Interpreting Model Predictions
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