<?xml version="1.0" encoding="ISO-8859-1"?><article xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance">
<front>
<journal-meta>
<journal-id>0035-001X</journal-id>
<journal-title><![CDATA[Revista mexicana de física]]></journal-title>
<abbrev-journal-title><![CDATA[Rev. mex. fis.]]></abbrev-journal-title>
<issn>0035-001X</issn>
<publisher>
<publisher-name><![CDATA[Sociedad Mexicana de Física]]></publisher-name>
</publisher>
</journal-meta>
<article-meta>
<article-id>S0035-001X2024000600014</article-id>
<article-id pub-id-type="doi">10.31349/revmexfis.70.061302</article-id>
<title-group>
<article-title xml:lang="en"><![CDATA[Drug expiration study using Raman spectroscopy and super paramagnetic clustering]]></article-title>
</title-group>
<contrib-group>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Guízar-Ruiz]]></surname>
<given-names><![CDATA[J. I.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[Anaya-Martin]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
<contrib contrib-type="author">
<name>
<surname><![CDATA[González-Solís]]></surname>
<given-names><![CDATA[J. L.]]></given-names>
</name>
<xref ref-type="aff" rid="Aff"/>
</contrib>
</contrib-group>
<aff id="Af1">
<institution><![CDATA[,Universidad de Guadalajara Centro Universitario de los Lagos Biophysics and Biomedical Sciences Laboratory]]></institution>
<addr-line><![CDATA[Lagos de Moreno Jalisco]]></addr-line>
<country>Mexico</country>
</aff>
<pub-date pub-type="pub">
<day>00</day>
<month>12</month>
<year>2024</year>
</pub-date>
<pub-date pub-type="epub">
<day>00</day>
<month>12</month>
<year>2024</year>
</pub-date>
<volume>70</volume>
<numero>6</numero>
<fpage>0</fpage>
<lpage>0</lpage>
<copyright-statement/>
<copyright-year/>
<self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_arttext&amp;pid=S0035-001X2024000600014&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_abstract&amp;pid=S0035-001X2024000600014&amp;lng=en&amp;nrm=iso"></self-uri><self-uri xlink:href="http://www.scielo.org.mx/scielo.php?script=sci_pdf&amp;pid=S0035-001X2024000600014&amp;lng=en&amp;nrm=iso"></self-uri><abstract abstract-type="short" xml:lang="en"><p><![CDATA[Abstract Currently, there is a belief that drugs used after their expiration date no longer work or can even cause some damage. In the present work, several types of drugs on the market with different expiration dates are analyzed to find out if those with expired expiration dates present spectroscopic differences from those whose expiration dates are still valid. This study used the Raman spectroscopy technique to determine the chemical composition of the drugs. To measure the drug Raman spectra, Horiba equipment, LabRam HR800, was used with an Olympus confocal microscope focusing a laser of 830 nm and 17 mW on the drugs through a 50× Leica long-range objective. The Super Paramagnetic Clustering (SPC) method was applied to classify the Raman spectra. In the SPC method, the clustering process is based on a phenomenon observed in nature at the atomic level and perfectly described by a statistical physics model known as the Potts model, which describes the interacting spins on a crystalline lattice. This clustering method allows for identifying hierarchical structures in the spectral data banks. Fourteen drugs were analyzed, including 2 capsules, 5 tablets, 2 liquid samples, 4 ointments, and one spray, with 1 to 3 expired expiration dates. Comparing drugs with expiration dates that are still valid and expired, the SPC results applied to the Raman spectra showed that although some drugs indicated chemical differences, others indicated no chemical differences, even among those with up to two expired expiration dates. The results showed that Raman spectroscopy and SPC are excellent tools for discriminating between expired and non-expired drugs. Principal Components Analysis (PCA) was also applied as a cross-checking method of the SPC results, obtaining consistent results. To our knowledge, this is the first preliminary result evaluating the usefulness of Raman spectroscopy and SPC in identifying expired drugs distributed on the market.]]></p></abstract>
<kwd-group>
<kwd lng="en"><![CDATA[Drugs expiration]]></kwd>
<kwd lng="en"><![CDATA[Raman spectroscopy]]></kwd>
<kwd lng="en"><![CDATA[super paramagnetic clustering]]></kwd>
<kwd lng="en"><![CDATA[PCA]]></kwd>
</kwd-group>
</article-meta>
</front><back>
<ref-list>
<ref id="B1">
<label>1</label><nlm-citation citation-type="">
<collab>FDA</collab>
<source><![CDATA[U.S. Food and Drug Administration. Expiration dating extension]]></source>
<year></year>
</nlm-citation>
</ref>
<ref id="B2">
<label>2</label><nlm-citation citation-type="book">
<collab>WHO</collab>
<source><![CDATA[Expert Committee on specifications for pharmaceutical preparations]]></source>
<year>1990</year>
<numero>34th</numero>
<issue>34th</issue>
<publisher-loc><![CDATA[Geneva ]]></publisher-loc>
<publisher-name><![CDATA[World Health Organization]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B3">
<label>3</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Debesa-García]]></surname>
<given-names><![CDATA[F.]]></given-names>
</name>
<name>
<surname><![CDATA[Fernández-Argüelles]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Pérez-Pe]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[La caducidad delos medicamento: justificación de una duda]]></article-title>
<source><![CDATA[Rev. Cubana. Farm.]]></source>
<year>2004</year>
<volume>38</volume>
</nlm-citation>
</ref>
<ref id="B4">
<label>4</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gikonyo]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Gikonyo]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Luvayo]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Ponoth]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Drug expiry debate: the myth and the reality]]></article-title>
<source><![CDATA[Afr. Health. Sci.]]></source>
<year>2019</year>
<volume>19</volume>
<page-range>2737</page-range></nlm-citation>
</ref>
<ref id="B5">
<label>5</label><nlm-citation citation-type="journal">
<collab>The Medical Letter</collab>
<article-title xml:lang=""><![CDATA[Drugs past their expiration date]]></article-title>
<source><![CDATA[Med. Lett. Drugs. Ther.]]></source>
<year>2015</year>
<volume>57</volume>
<page-range>164</page-range></nlm-citation>
</ref>
<ref id="B6">
<label>6</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Uehara]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
<name>
<surname><![CDATA[Tagami]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Miyazaki]]></surname>
<given-names><![CDATA[I.]]></given-names>
</name>
<name>
<surname><![CDATA[Murata]]></surname>
<given-names><![CDATA[N.]]></given-names>
</name>
<name>
<surname><![CDATA[Takahashi]]></surname>
<given-names><![CDATA[Y.]]></given-names>
</name>
<name>
<surname><![CDATA[Ohkubo]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Ozeki]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Effect of x-ray exposure on the pharmaceutical quality of drug tablets using x-ray inspection equipment]]></article-title>
<source><![CDATA[Drug Dev Ind Pharm]]></source>
<year>2015</year>
<volume>41</volume>
<page-range>953</page-range></nlm-citation>
</ref>
<ref id="B7">
<label>7</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Goodwin RJA]]></surname>
<given-names><![CDATA[R. J. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Takats]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
<name>
<surname><![CDATA[Bunch]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[A critical and concise review of mass spectrometry applied to imaging in drug discovery]]></article-title>
<source><![CDATA[SLAS Discovery]]></source>
<year>2020</year>
<volume>25</volume>
<page-range>963</page-range></nlm-citation>
</ref>
<ref id="B8">
<label>8</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Taleuzzaman]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Ali]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Gilani]]></surname>
<given-names><![CDATA[S. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Imam]]></surname>
<given-names><![CDATA[S. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Hafeez]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Ultra performance liquid chromatography (uplc) - a review]]></article-title>
<source><![CDATA[Austin J. Anal. Pharm. Chem.]]></source>
<year>2015</year>
<volume>2</volume>
<page-range>1056</page-range></nlm-citation>
</ref>
<ref id="B9">
<label>9</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Hahn]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Pallua]]></surname>
<given-names><![CDATA[J. D.]]></given-names>
</name>
<name>
<surname><![CDATA[Pezzei]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
<name>
<surname><![CDATA[Huck-Pezzei]]></surname>
<given-names><![CDATA[V.]]></given-names>
</name>
<name>
<surname><![CDATA[Bonn]]></surname>
<given-names><![CDATA[G. K. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Huck]]></surname>
<given-names><![CDATA[C.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Infrared spectroscopy: A non-invasive tool for medical diagnostics and drug analysis]]></article-title>
<source><![CDATA[Current Medicinal Chemistry]]></source>
<year>2010</year>
<volume>17</volume>
<page-range>2956</page-range></nlm-citation>
</ref>
<ref id="B10">
<label>10</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Das]]></surname>
<given-names><![CDATA[R. S.]]></given-names>
</name>
<name>
<surname><![CDATA[Agrawal]]></surname>
<given-names><![CDATA[Y. K.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Raman spectroscopy: Recent advancements, techniques and applications]]></article-title>
<source><![CDATA[Vibrational Spectroscopy]]></source>
<year>2011</year>
<volume>57</volume>
<page-range>163</page-range></nlm-citation>
</ref>
<ref id="B11">
<label>11</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Skoog]]></surname>
<given-names><![CDATA[D. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Holler]]></surname>
<given-names><![CDATA[F. J.]]></given-names>
</name>
<name>
<surname><![CDATA[Crouch]]></surname>
<given-names><![CDATA[S. R.]]></given-names>
</name>
</person-group>
<source><![CDATA[Principles of Instrumental Analysis]]></source>
<year>2007</year>
<edition>6th</edition>
<publisher-name><![CDATA[Thomson, Brooks-Cole]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B12">
<label>12</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gómez]]></surname>
<given-names><![CDATA[O.]]></given-names>
</name>
</person-group>
<source><![CDATA[Application of Raman Spectroscopy to Analytical study of Drugs]]></source>
<year>2011</year>
<publisher-loc><![CDATA[España ]]></publisher-loc>
<publisher-name><![CDATA[Universitat Politécnica de Catalunya]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B13">
<label>13</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gordon]]></surname>
<given-names><![CDATA[K. C.]]></given-names>
</name>
<name>
<surname><![CDATA[McGoverin]]></surname>
<given-names><![CDATA[C. M.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Raman mapping of pharmaceuticals]]></article-title>
<source><![CDATA[Int. J. Pharmaceutics]]></source>
<year>2011</year>
<volume>417</volume>
<page-range>151</page-range></nlm-citation>
</ref>
<ref id="B14">
<label>14</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Gasparov]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Jegorel]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Loetgering]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Middey]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Chakhalian]]></surname>
<given-names><![CDATA[J.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Thin film substrates from the Raman spectroscopy point of view]]></article-title>
<source><![CDATA[J. Raman spectroscopy]]></source>
<year>2014</year>
<volume>45</volume>
<numero>6</numero>
<issue>6</issue>
<page-range>465-9</page-range></nlm-citation>
</ref>
<ref id="B15">
<label>15</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Nagy]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Farkas]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Gyürkés]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Komaromy-Hiller]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Démuth]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Szabó]]></surname>
<given-names><![CDATA[B.]]></given-names>
</name>
<name>
<surname><![CDATA[Nusser]]></surname>
<given-names><![CDATA[D.]]></given-names>
</name>
<name>
<surname><![CDATA[Borbás]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Marosi]]></surname>
<given-names><![CDATA[G.]]></given-names>
</name>
<name>
<surname><![CDATA[Kristóf Nagy]]></surname>
<given-names><![CDATA[Z.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[In-line Raman spectroscopic monitoring and feedback control of a continuous twin-screw pharmaceutical powder blending and tableting process]]></article-title>
<source><![CDATA[International Journal of Pharmaceutics]]></source>
<year>2017</year>
<volume>530</volume>
<numero>1-2</numero>
<issue>1-2</issue>
<page-range>21-9</page-range></nlm-citation>
</ref>
<ref id="B16">
<label>16</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Vargas-Obieta]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Zérega]]></surname>
<given-names><![CDATA[B. E.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Espinosa]]></surname>
<given-names><![CDATA[J. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Jave-Suárez]]></surname>
<given-names><![CDATA[L. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Aguilar-Lemarroy]]></surname>
<given-names><![CDATA[A. C.]]></given-names>
</name>
<name>
<surname><![CDATA[González-Solís]]></surname>
<given-names><![CDATA[J. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Breast cancer detection based on serum samples SERS]]></article-title>
<source><![CDATA[Lasers Med Sci]]></source>
<year>2016</year>
<volume>31</volume>
<page-range>1317-24</page-range></nlm-citation>
</ref>
<ref id="B17">
<label>17</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[González-Solís]]></surname>
<given-names><![CDATA[J. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Espinosa]]></surname>
<given-names><![CDATA[J. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Torres-González]]></surname>
<given-names><![CDATA[L.]]></given-names>
</name>
<name>
<surname><![CDATA[Jave-Suárez]]></surname>
<given-names><![CDATA[L. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Aguilar-Lemarroy]]></surname>
<given-names><![CDATA[A. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Palomares-Anda]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Cervical cancer detection based on serum sample Raman spectroscopy]]></article-title>
<source><![CDATA[Lasers Med. Sci.]]></source>
<year>2014</year>
<volume>29</volume>
<numero>3</numero>
<issue>3</issue>
<page-range>979-85</page-range></nlm-citation>
</ref>
<ref id="B18">
<label>18</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[González-Solís]]></surname>
<given-names><![CDATA[J. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Martínez-Espinosa]]></surname>
<given-names><![CDATA[J. C.]]></given-names>
</name>
<name>
<surname><![CDATA[Palomares-Anda]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Monitoring of chemotherapy leukemia treatment using Raman spectroscopy and principal component analysis]]></article-title>
<source><![CDATA[Lasers Med Sci]]></source>
<year>2014</year>
<volume>29</volume>
<page-range>1241-9</page-range></nlm-citation>
</ref>
<ref id="B19">
<label>19</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[D´haeseleer]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[How does gene expression clustering work]]></article-title>
<source><![CDATA[Nature Biotechnology]]></source>
<year>2005</year>
<volume>23</volume>
<numero>12</numero>
<issue>12</issue>
<page-range>1499-501</page-range></nlm-citation>
</ref>
<ref id="B20">
<label>20</label><nlm-citation citation-type="">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Kumar]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Kannan]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<source><![CDATA[Clustering with Spectral Norm and the k-means Algorithm]]></source>
<year>2010</year>
</nlm-citation>
</ref>
<ref id="B21">
<label>21</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Blatt]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Wiseman]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Domany]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Super-paramagnetic clustering of data]]></article-title>
<source><![CDATA[Physical Review Letters]]></source>
<year>1996</year>
<volume>76</volume>
<page-range>3251-4</page-range></nlm-citation>
</ref>
<ref id="B22">
<label>22</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Blatt]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Wiseman]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Domany]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Data Clustering Using a Model Granular Magnet]]></article-title>
<source><![CDATA[Neur. Compt.]]></source>
<year>1997</year>
<volume>9</volume>
<page-range>1805-42</page-range></nlm-citation>
</ref>
<ref id="B23">
<label>23</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wiseman]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Blatt]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Domany]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Super-paramagnetic clustering of data]]></article-title>
<source><![CDATA[Phys. Rev. E]]></source>
<year>1998</year>
<volume>57</volume>
<page-range>3767-87</page-range></nlm-citation>
</ref>
<ref id="B24">
<label>24</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Agrawal]]></surname>
<given-names><![CDATA[H.]]></given-names>
</name>
<name>
<surname><![CDATA[Domany]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Potts Ferromagnets on Coexpressed Gene Networks: Identifying Maximally Stable Partitions]]></article-title>
<source><![CDATA[Physical Review Letters]]></source>
<year>2003</year>
<volume>90</volume>
<numero>15</numero>
<issue>15</issue>
<page-range>158102-1</page-range></nlm-citation>
</ref>
<ref id="B25">
<label>25</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[König]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
<name>
<surname><![CDATA[Eils]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Gene expression analysis on biochemical networks using the Potts spin model]]></article-title>
<source><![CDATA[Bioinformatics]]></source>
<year>2004</year>
<volume>20</volume>
<page-range>1500-5</page-range></nlm-citation>
</ref>
<ref id="B26">
<label>26</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Tetko]]></surname>
<given-names><![CDATA[I. V.]]></given-names>
</name>
<name>
<surname><![CDATA[Facius]]></surname>
<given-names><![CDATA[A. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Ruepp]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Hans-Werner]]></surname>
<given-names><![CDATA[M.a]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Super paramagnetic clustering of protein sequences]]></article-title>
<source><![CDATA[BMC Bioinformatics]]></source>
<year>2005</year>
<volume>6</volume>
<numero>82</numero>
<issue>82</issue>
<page-range>1-13</page-range></nlm-citation>
</ref>
<ref id="B27">
<label>27</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[González-Solís]]></surname>
<given-names><![CDATA[J. L.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Discrimination of different cancer types clustering Raman spectra by a super paramagnetic stochastic network approach]]></article-title>
<source><![CDATA[PLOS ONE]]></source>
<year>2019</year>
<volume>0213621</volume>
</nlm-citation>
</ref>
<ref id="B28">
<label>28</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[González-Solís]]></surname>
<given-names><![CDATA[J. L.]]></given-names>
</name>
<name>
<surname><![CDATA[Torres-González]]></surname>
<given-names><![CDATA[L. A.]]></given-names>
</name>
<name>
<surname><![CDATA[Villafán-Bernal]]></surname>
<given-names><![CDATA[J. R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Superparamagnetic Clustering of Diabetes Patients Raman Spectra]]></article-title>
<source><![CDATA[Journal of Spectroscopy]]></source>
<year>2019</year>
<volume>4296153</volume>
</nlm-citation>
</ref>
<ref id="B29">
<label>29</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Swendsen]]></surname>
<given-names><![CDATA[R. H.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Cluster Monte Carlo algorithms]]></article-title>
<source><![CDATA[Physica A]]></source>
<year>1990</year>
<volume>167</volume>
<page-range>565</page-range></nlm-citation>
</ref>
<ref id="B30">
<label>30</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Swendsen]]></surname>
<given-names><![CDATA[R. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Wang]]></surname>
<given-names><![CDATA[S.]]></given-names>
</name>
<name>
<surname><![CDATA[Ferrenberg]]></surname>
<given-names><![CDATA[A. M.]]></given-names>
</name>
<name>
<surname><![CDATA[Binder]]></surname>
<given-names><![CDATA[K.]]></given-names>
</name>
</person-group>
<source><![CDATA[New Monte Carlo methods for improved efficiency of computer simulations in statistical mechanics, The Monte Carlo Methods in Condensed Matter Physics]]></source>
<year>1992</year>
<page-range>75-91</page-range><publisher-loc><![CDATA[Berlin, Germany ]]></publisher-loc>
<publisher-name><![CDATA[Springer-Verlang]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B31">
<label>31</label><nlm-citation citation-type="book">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Chalmers]]></surname>
<given-names><![CDATA[JM]]></given-names>
</name>
<name>
<surname><![CDATA[Griffiths]]></surname>
<given-names><![CDATA[PR]]></given-names>
</name>
</person-group>
<source><![CDATA[Handbook of vibrational spectroscopy]]></source>
<year>2002</year>
<volume>5</volume>
<publisher-loc><![CDATA[New York ]]></publisher-loc>
<publisher-name><![CDATA[Wiley]]></publisher-name>
</nlm-citation>
</ref>
<ref id="B32">
<label>32</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Boelens]]></surname>
<given-names><![CDATA[H. F.]]></given-names>
</name>
<name>
<surname><![CDATA[Eiler]]></surname>
<given-names><![CDATA[P. H.]]></given-names>
</name>
<name>
<surname><![CDATA[Hankemeier]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Sing constrains improve the detection of differences between complex spectral data sets: LC-IR as an example]]></article-title>
<source><![CDATA[Anal Chem]]></source>
<year>2005</year>
<volume>77</volume>
<numero>24</numero>
<issue>24</issue>
<page-range>7998-8007</page-range></nlm-citation>
</ref>
<ref id="B33">
<label>33</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ott]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Kern]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Steeb]]></surname>
<given-names><![CDATA[Willi-Hans]]></given-names>
</name>
<name>
<surname><![CDATA[Stoop]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Sequential clustering: tracking down the most natural clusters]]></article-title>
<source><![CDATA[J. Stat. Mech.]]></source>
<year>2005</year>
</nlm-citation>
</ref>
<ref id="B34">
<label>34</label><nlm-citation citation-type="journal">
<person-group person-group-type="author">
<name>
<surname><![CDATA[Ott]]></surname>
<given-names><![CDATA[T.]]></given-names>
</name>
<name>
<surname><![CDATA[Kern]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Schuffenhauer]]></surname>
<given-names><![CDATA[A.]]></given-names>
</name>
<name>
<surname><![CDATA[Popov]]></surname>
<given-names><![CDATA[M.]]></given-names>
</name>
<name>
<surname><![CDATA[Acklin]]></surname>
<given-names><![CDATA[P.]]></given-names>
</name>
<name>
<surname><![CDATA[Jacoby]]></surname>
<given-names><![CDATA[E.]]></given-names>
</name>
<name>
<surname><![CDATA[Stoop]]></surname>
<given-names><![CDATA[R.]]></given-names>
</name>
</person-group>
<article-title xml:lang=""><![CDATA[Sequential superparamagnetic clustering for unbiased classification of high-dimensional chemical data]]></article-title>
<source><![CDATA[J. Chem. Inf. Comput. Sci.]]></source>
<year>2004</year>
<volume>44</volume>
<page-range>1358</page-range></nlm-citation>
</ref>
</ref-list>
</back>
</article>
