{
  "abstract": "Introduction: To address the need for the value-added utilization of tobacco leaves with low sensory quality, this study proposed a targeted chemical composition regulation method based on counterfactual explanations and preliminarily evaluated the resulting chemical adjustment strategies using samples processed by a rotary-drum tobacco high-temperature (THT) drying process.\n\nMethods: Based on 70 chemical indicators and sensory smoking evaluation data from 354 tobacco leaf samples, binary shrinkage linear discriminant analysis (shrinkage LDA) models were developed to distinguish between the high- and low-sensory-quality groups in terms of aroma quality, aroma intensity, and offensive odor. Incremental feature selection (IFS) was employed to identify key chemical indicators, after which indicators with low adjustability under THT conditions were further excluded. The decision models for counterfactual explanations were then reconstructed using the remaining indicators. Sequential least squares programming (SLSQP) was applied to generate chemical-indicator adjustment pathways for improving sensory quality, and the resulting pathways were validated through a THT experiment conducted at 215 °C.\n\nResults: The results showed that: (1) following incremental feature selection and further screening based on the adjustability of chemical indicators under THT conditions, 11, 9, and 10 key chemical indicators were ultimately retained in the decision models for aroma quality, aroma intensity, and offensive odor, respectively; (2) all the developed models achieved classification accuracies above 84% on the test sets, indicating good mapping relationships between the key chemical indicators and sensory quality; (3) the directional agreement between the theoretically predicted adjustments and the experimentally measured changes ranged from 66.7% to 72.7%. Moreover, indicators showing directional agreement contributed significantly more to improvements in discriminant scores than those showing opposite directions, confirming their dominant role in sensory quality improvement.\n\nDiscussion: These findings demonstrate that counterfactual explanations can effectively predict optimization pathways in complex chemical systems, thereby providing theoretical support and methodological guidance for the targeted improvement of tobacco leaves with low sensory quality.",
  "abstract_shown": true,
  "affiliations": [
    "Zhengzhou Tobacco Research Institute of CNTC",
    "Technology R&D Center, Gansu Tobacco Industrial Co., Ltd.",
    "Technology Center, China Tobacco Shaanxi Industrial Co., Ltd."
  ],
  "article_type": null,
  "arxiv": null,
  "author_total": 19,
  "authors": [
    {
      "affs": [
        0
      ],
      "name": "Hexin Chen"
    },
    {
      "affs": [
        0
      ],
      "name": "Wenting Li"
    },
    {
      "affs": [
        0
      ],
      "name": "Junwei Guo"
    },
    {
      "affs": [
        0
      ],
      "name": "Hongbo Wang"
    },
    {
      "affs": [
        0
      ],
      "name": "Song Yang"
    },
    {
      "affs": [
        0
      ],
      "name": "Ran Wan"
    },
    {
      "affs": [
        1
      ],
      "name": "Yanling Liu"
    },
    {
      "affs": [
        2
      ],
      "name": "Zhenyu Liu"
    },
    {
      "affs": [
        1
      ],
      "name": "Guoxin Qin"
    },
    {
      "affs": [
        0
      ],
      "name": "Cong Wang"
    },
    {
      "affs": [
        1
      ],
      "name": "Zeli Wang"
    },
    {
      "affs": [
        0
      ],
      "name": "Haiyue Su"
    },
    {
      "affs": [
        1
      ],
      "name": "Xianyue Zhu"
    },
    {
      "affs": [
        1
      ],
      "name": "Zhen Wang"
    },
    {
      "affs": [
        1
      ],
      "name": "Zhicai Wang"
    },
    {
      "affs": [
        0
      ],
      "name": "Cong Nie"
    },
    {
      "affs": [
        0
      ],
      "name": "Le Zhao"
    },
    {
      "affs": [
        1
      ],
      "name": "Shan Li"
    },
    {
      "affs": [
        2
      ],
      "name": "Xufeng Wang"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/az0n33khr52ry.bib",
  "cited_by": 0,
  "doi": "10.3389/fpls.2026.1991648",
  "fulltext_url": null,
  "id": "az0n33khr52ry",
  "issns": [
    "1664-462X"
  ],
  "landing_url": "https://www.frontiersin.org/articles/10.3389/fpls.2026.1991648/full",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "https://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": null,
  "native_subjects": [
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      "openalex",
      "1602|Spectroscopy and Chemometric Analyses"
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  "openalex": "W7223183319",
  "pdf_url": "https://www.frontiersin.org/journals/plant-science/articles/10.3389/fpls.2026.1991648/pdf",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-22",
  "publisher": "Frontiers Media SA",
  "ris": "https://research.draconitic.com/paper/az0n33khr52ry.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:19:25Z",
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      "url": "https://www.frontiersin.org/articles/10.3389/fpls.2026.1991648/full"
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  "subjects": [
    {
      "field": "chemistry",
      "origin": "openalex:1602|Spectroscopy and Chemometric Analyses",
      "subfield": "analytical"
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  "title": "Counterfactual explanation-based targeted regulation of key chemical indicators for improving tobacco leaf sensory quality",
  "title_text": "Counterfactual explanation-based targeted regulation of key chemical indicators for improving tobacco leaf sensory quality",
  "type": "peer-reviewed",
  "updated_at": "2026-10-30T12:19:25Z",
  "url": "https://research.draconitic.com/paper/az0n33khr52ry",
  "venue": "Frontiers in Plant Science",
  "versions": []
}