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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-6905</article-id>
      <article-id pub-id-type="doi">10.51847/qb5Z74lHej</article-id>
      <article-categories>
        <subj-group subj-group-type="heading">
          <subject>Original research</subject>
        </subj-group>
      </article-categories>
      <title-group>
        <article-title>AI for Formulation Optimization: A Mixed-Methods Review</article-title>
      </title-group>
                    <contrib-group>
                      <contrib contrib-type="author">
              <name>
                <surname>Novak</surname>
                <given-names>Anna</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                                            <xref rid="cor1" ref-type="corresp" />
                          </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Hruby</surname>
                <given-names>Tomas</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                        </contrib>
                  </contrib-group>
                  <aff id="aff1">
            <label>1</label>Department of Computational Pharmaceutical Engineering, Faculty of Pharmacy, Czech Technical University, Prague, Czech Republic.
          </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="anna.novak@gmail.com">anna.novak@gmail.com</email>
                          </corresp>
          </author-notes>
                    <pub-date pub-type="epub">
        <day>28</day>
        <month>06</month>
        <year>2026</year>
      </pub-date>
      <volume>17</volume>
      <issue>3</issue>
      <fpage>63</fpage>
      <lpage>71</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>Artificial intelligence is increasingly being explored as a tool to accelerate pharmaceutical formulation development due to its ability to model complex relationships among formulation composition, process parameters, material attributes, and critical quality outcomes. This mixed-methods review aimed to map the landscape of AI applications in formulation optimization from 2017 to 2026 while assessing methodological quality, reproducibility, and translational readiness. Combining systematic evidence mapping with structured methodological appraisal, the review followed PRISMA-ScR principles and examined formulation types, AI methods, dataset structures, validation strategies, and evidence of implementation. AI applications were identified across solid oral dosage forms, lipid and polymeric nanoparticles, long-acting injectables, amorphous solid dispersions, and drug-release prediction. However, the evidence base remains dominated by retrospective datasets, internal validation, limited transparency, and few prospective or industrially integrated studies. While AI demonstrates clear technical potential for formulation optimization, stronger validation, improved reporting, shared datasets, and prospective workflow evaluation are essential before it can be reliably adopted in routine industrial or regulatory settings.</p>
      </abstract>
      <kwd-group>
                <kwd>Artificial intelligence</kwd>
                <kwd>Formulation optimization</kwd>
                <kwd>Pharmaceutical development</kwd>
                <kwd>Machine learning</kwd>
                <kwd>Drug delivery</kwd>
                <kwd>Reproducibility</kwd>
              </kwd-group>
    </article-meta>
  </front>
</article>