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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-6942</article-id>
      <article-id pub-id-type="doi">10.51847/LZiC884gRP</article-id>
      <article-categories>
        <subj-group subj-group-type="heading">
          <subject>Original research</subject>
        </subj-group>
      </article-categories>
      <title-group>
        <article-title>Self-Driving Pharmaceutical Laboratories Need Explicit Rules for Exploration, Confirmation, Failure Recovery, Escalation, and Stopping</article-title>
      </title-group>
                    <contrib-group>
                      <contrib contrib-type="author">
              <name>
                <surname>Johansson</surname>
                <given-names>Erik</given-names>
              </name>
                              <xref rid="aff1" ref-type="aff">1</xref>
                                                            <xref rid="cor1" ref-type="corresp" />
                          </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Lundberg</surname>
                <given-names>Sofia</given-names>
              </name>
                              <xref rid="aff2" ref-type="aff">2</xref>
                                        </contrib>
                      <contrib contrib-type="author">
              <name>
                <surname>Nilsson</surname>
                <given-names>Anders</given-names>
              </name>
                              <xref rid="aff3" ref-type="aff">3</xref>
                                        </contrib>
                  </contrib-group>
                  <aff id="aff1">
            <label>1</label>Department of Self-Driving Labs and Exploration Rules, Faculty of Pharmacy, KTH Royal Institute of Technology, Stockholm, Sweden.
          </aff>
                  <aff id="aff2">
            <label>2</label>Department of Confirmation and Failure Recovery, Faculty of Pharmaceutical Sciences, Lund University, Lund, Sweden.
          </aff>
                  <aff id="aff3">
            <label>3</label>Department of Escalation and Stopping Rules in Autonomous Labs, Faculty of Pharmacy, Uppsala University, Uppsala, Sweden.
          </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="erik.johansson@kth.se">erik.johansson@kth.se</email>
                          </corresp>
          </author-notes>
                    <pub-date pub-type="epub">
        <day>28</day>
        <month>12</month>
        <year>2025</year>
      </pub-date>
      <volume>16</volume>
      <issue>6</issue>
      <fpage>77</fpage>
      <lpage>88</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>Self-driving laboratories are increasingly positioned as closed-loop systems that can select experiments, control instruments, interpret measurements, and update subsequent actions with limited direct intervention. In pharmaceutical science, however, technical autonomy does not itself provide the epistemic governance needed to distinguish an informative experiment from a confirmatory test, a repeat measurement from an independent replication, or a recoverable malfunction from a condition requiring human escalation or campaign termination. Without explicit transition and stopping rules, an autonomous platform may efficiently optimize an invalid objective, reinforce bias, repeat contaminated procedures, overinterpret uncertain measurements, or continue experimentation after the scientific value of additional observations has become negligible. This article develops the Pharmaceutical Autonomous Experimentation Governance State Machine as an original conceptual architecture for organizing autonomous laboratory behavior. The proposed construct separates qualified readiness, exploration, confirmation, replication, failure recovery, human escalation, and stopping into distinct governance states linked by evidence-dependent transition guards. It further treats provenance, auditability, uncertainty assessment, and contamination monitoring as continuous control functions rather than retrospective reporting obligations. The central argument is that autonomous laboratory quality cannot be established through a single optimization score, throughput measure, model-confidence estimate, or experimental success indicator. Evaluation must instead examine whether the system enters the correct scientific state, preserves the distinction between provisional and confirmed evidence, detects failure, escalates unresolved uncertainty, and stops under success, futility, risk, contamination, or resource constraints. The architecture is not presented as an empirically validated controller, regulatory framework, or deployment-ready standard. Its value lies in specifying testable governance relationships and boundary conditions for future pharmaceutical laboratory research.</p>
      </abstract>
      <kwd-group>
                <kwd>Self-driving laboratories</kwd>
                <kwd>Autonomous experimentation</kwd>
                <kwd>Pharmaceutical artificial intelligence</kwd>
                <kwd>Scientific governance</kwd>
                <kwd>Failure recovery</kwd>
                <kwd>Human escalation</kwd>
              </kwd-group>
    </article-meta>
  </front>
</article>