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  <front>
    <journal-meta>
      <journal-id journal-id-type="iso-abbrev">Pharmacophore</journal-id>
      <journal-id journal-id-type="publisher-id">pharmacophorejournal.com</journal-id>
      <journal-id journal-id-type="publisher-id">Pharmacophore</journal-id>
      <journal-title-group>
        <journal-title>Pharmacophore</journal-title>
      </journal-title-group>
      <issn pub-type="epub">2229-5402</issn>
    </journal-meta>
    <article-meta>
      <article-id pub-id-type="publisher-id">pharmacophorejournal.com-6874</article-id>
      <article-id pub-id-type="doi">10.51847/BACFkkXGAS</article-id>
      <article-categories>
        <subj-group subj-group-type="heading">
          <subject>Original research</subject>
        </subj-group>
      </article-categories>
      <title-group>
        <article-title>Interpretable Multimodal Models for Nanocarrier Biodistribution Using Physicochemical and Imaging Data</article-title>
      </title-group>
                    <contrib-group>
                      <contrib contrib-type="author">
              <name>
                <surname>Ali</surname>
                <given-names>Hassan</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                        </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Farooq</surname>
                <given-names>Mariam</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                                            <xref rid="cor1" ref-type="corresp" />
                          </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Shah</surname>
                <given-names>Usman</given-names>
              </name>
                              <xref rid="aff2" ref-type="aff">2</xref>
                                        </contrib>
                  </contrib-group>
                  <aff id="aff1">
            <label>1</label>Department of AI Pharmaceutical Engineering, Faculty of Pharmacy, University of Lahore, Lahore, Pakistan.
          </aff>
                  <aff id="aff2">
            <label>2</label>Department of Computational Drug Systems, Faculty of Engineering, National University of Sciences and Technology, Islamabad, Pakistan.
          </aff>
                          <author-notes>
            <corresp id="cor1">
              <bold>Address for correspondence:</bold> Prof. Wael Abu Dayyih, Department of
              Pharmaceutical Chemistry, Faculty of Pharmacy, Mutah University, Al-Karak 61710, Jordan.
                              E-mail: <email xlink:href="mariam.farooq@outlook.com">mariam.farooq@outlook.com</email>
                          </corresp>
          </author-notes>
                    <pub-date pub-type="epub">
        <day>28</day>
        <month>02</month>
        <year>2026</year>
      </pub-date>
      <volume>17</volume>
      <issue>1</issue>
      <fpage>12</fpage>
      <lpage>21</lpage>
      <permissions>
        <copyright-statement>
          Copyright: &#x000a9; 2026 Pharmacophore
        </copyright-statement>
        <copyright-year>2026</copyright-year>
        <license>
          <ali:license_ref xmlns:ali="http://www.niso.org/schemas/ali/1.0/"
            specific-use="textmining" content-type="ccbyncsalicense">
            https://creativecommons.org/licenses/by-nc-sa/4.0/</ali:license_ref>
          <license-p>This is an open access journal, and articles are distributed under the terms of
            the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 License, which allows
            others to remix, tweak, and build upon the work non-commercially, as long as appropriate
            credit is given and the new creations are licensed under the identical terms.</license-p>
        </license>
      </permissions>
      <abstract>
        <title>A<sc>BSTRACT</sc></title>
        <p>Achieving predictable and favorable biodistribution is a central goal in nanomedicine. However, the relationships among nanoparticle design, imaging biomarkers, biological barriers, and organ accumulation remain complex and difficult to generalize. Current predictive approaches often operate as black boxes or depend on narrow feature sets. This makes it difficult for nanocarrier engineers to identify which modifiable particle properties drive undesirable uptake in clearance organs. This article proposes an interpretable multimodal machine learning framework for predicting organ-level nanocarrier biodistribution. The model is designed to connect physicochemical descriptors and imaging-derived features with transparent, organ-specific explanations. A multimodal architecture would combine an encoder for physicochemical features with an imaging-feature encoder. Explainability would be provided through post-hoc SHAP analysis or built-in attention mechanisms that decompose organ-uptake predictions into contributions from individual particle properties and imaging readouts.
Conceptually, the model could forecast liver, spleen, tumor, and kidney accumulation while highlighting the dominant drivers for each organ. For example, high liver uptake could be explained by low PEG density, positive zeta potential, or imaging signatures consistent with nonspecific reticuloendothelial accumulation. An interpretable multimodal approach could help close the feedback loop between prediction and nanocarrier redesign. By linking organ-level biodistribution patterns to actionable formulation variables, it could support more rational development of targeted nanomedicines.</p>
      </abstract>
      <kwd-group>
                <kwd>Explainable AI</kwd>
                <kwd>Nanocarrier biodistribution</kwd>
                <kwd>Multimodal learning</kwd>
                <kwd>Physicochemical descriptors</kwd>
                <kwd>Molecular imaging</kwd>
                <kwd>SHAP</kwd>
              </kwd-group>
    </article-meta>
  </front>
</article>