<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Archiving and Interchange DTD with MathML3 v1.3 20210610//EN" "JATS-archivearticle1-3-mathml3.dtd"><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink"
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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-6896</article-id>
      <article-id pub-id-type="doi">10.51847/M9DXGmqVYy</article-id>
      <article-categories>
        <subj-group subj-group-type="heading">
          <subject>Original research</subject>
        </subj-group>
      </article-categories>
      <title-group>
        <article-title>Autonomous Laboratory Planning Agent for Solid-State Form Selection and Polymorph Screening</article-title>
      </title-group>
                    <contrib-group>
                      <contrib contrib-type="author">
              <name>
                <surname>Al-Mahdi</surname>
                <given-names>Rashid</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                        </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Al-Suwaidi</surname>
                <given-names>Khalifa</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                                            <xref rid="cor1" ref-type="corresp" />
                          </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Al-Kuwari</surname>
                <given-names>Mariam</given-names>
              </name>
                              <xref rid="aff2" ref-type="aff">2</xref>
                                        </contrib>
                  </contrib-group>
                  <aff id="aff1">
            <label>1</label>Department of Pharmaceutical Informatics and AI Systems, Faculty of Pharmacy, Qatar University, Doha, Qatar.
          </aff>
                  <aff id="aff2">
            <label>2</label>Department of Computational Drug Engineering, Faculty of Engineering, Hamad Bin Khalifa University, Doha, Qatar.
          </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="khalifa.suwaidi@outlook.com">khalifa.suwaidi@outlook.com</email>
                          </corresp>
          </author-notes>
                    <pub-date pub-type="epub">
        <day>28</day>
        <month>04</month>
        <year>2026</year>
      </pub-date>
      <volume>17</volume>
      <issue>2</issue>
      <fpage>103</fpage>
      <lpage>111</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>Solid-form screening is a foundational step in pharmaceutical development because the physical form of an active pharmaceutical ingredient can influence stability, manufacturability, dissolution, and downstream formulation strategy. Polymorphs, cocrystals, and salts each expand the developable form landscape, but they also increase the complexity of experimental exploration. Current solid-form screening workflows often rely on expert-designed experimental grids, manual interpretation of characterization data, and sequential decision-making. These practices can be slow, material-intensive, and vulnerable to incomplete exploration of crystallization conditions. This article proposes an autonomous AI planning agent that designs solid-form screening protocols, coordinates robotic execution, analyzes diffraction and spectroscopic data in real time, and adaptively refines the next experimental campaign. The agent is conceptual and intended as a system architecture rather than a report of experimental performance. The proposed system combines a Bayesian or reasoning-based planning core, robotic crystallization and sample-handling modules, solid-state characterization tools, and AI-powered form identification. A learning loop updates the agent’s internal representation of the crystallization space after each experimental batch. Such an agent would be expected to make solid-form screening more systematic, traceable, and adaptive. It could support broader exploration of polymorph, cocrystal, and salt landscapes while preserving expert oversight at critical scientific and safety decision points. An autonomous solid-state screening agent could transform solid-form selection from a predominantly empirical workflow into a data-driven, closed-loop planning process. Its value would depend on robust integration of planning, robotics, characterization, human review, and prospective validation.</p>
      </abstract>
      <kwd-group>
                <kwd>Autonomous laboratories</kwd>
                <kwd>Solid-state form selection</kwd>
                <kwd>Polymorph screening</kwd>
                <kwd>Cocrystals</kwd>
                <kwd>Salts</kwd>
                <kwd>Bayesian optimization</kwd>
              </kwd-group>
    </article-meta>
  </front>
</article>