Nanomaterials – the Next Great Challenge for Qsar Modelers
Identifieur interne : 000B95 ( Istex/Corpus ); précédent : 000B94; suivant : 000B96Nanomaterials – the Next Great Challenge for Qsar Modelers
Auteurs : Tomasz Puzyn ; Agnieszka Gajewicz ; Danuta Leszczynska ; Jerzy LeszczynskiSource :
- Challenges and Advances in Computational Chemistry and Physics
Abstract
Abstract: In this final chapter a new perspective for the application of QSAR in the nanosciences is discussed. The role of nanomaterials is rapidly increasing in many aspects of everyday life. This is promoting a wide range of research needs related to both the design of new materials with required properties and performing a comprehensive risk assessment of the manufactured nanoparticles. The development of nanoscience also opens new areas for QSAR modelers. We have begun this contribution with a detailed discussion on the remarkable physical–chemical properties of nanomaterials and their specific toxicities. Both these factors should be considered as potential endpoints for further nano-QSAR studies. Then, we have highlighted the status and research needs in the area of molecular descriptors applicable to nanomaterials. Finally, we have put together currently available nano-QSAR models related to the physico-chemical endpoints of nanoparticles and their activity. Although we have observed many problems (i.e., a lack of experimental data, insufficient and inadequate descriptors), we do believe that application of QSAR methodology will significantly support nanoscience in the near future. Development of reliable nano-QSARs can be considered as the next challenging task for the QSAR community.
Url:
DOI: 10.1007/978-1-4020-9783-6_14
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Sobieskiego 18/19, 80-952, Gdańsk, Poland</mods:affiliation></affiliation></author><author><name sortKey="Leszczynska, Danuta" sort="Leszczynska, Danuta" uniqKey="Leszczynska D" first="Danuta" last="Leszczynska">Danuta Leszczynska</name><affiliation><mods:affiliation>Department of Civil and Environmental Engineering, Interdisciplinary Nanotoxicity Center, Jackson State University, 39217-0510, Jackson, MS, USA</mods:affiliation></affiliation></author><author><name sortKey="Leszczynski, Jerzy" sort="Leszczynski, Jerzy" uniqKey="Leszczynski J" first="Jerzy" last="Leszczynski">Jerzy Leszczynski</name><affiliation><mods:affiliation>Department of Chemistry, Interdisciplinary Nanotoxicity Center, Jackson State University, 39217-0510, Jackson, MS, USA</mods:affiliation></affiliation></author></analytic><monogr></monogr><series><title level="s" type="main" xml:lang="en">Challenges and Advances in Computational Chemistry and Physics</title><title level="s" type="abbrev">Challenges,Comp.Chem.,Phys.</title></series></biblStruct></sourceDesc></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">Abstract: In this final chapter a new perspective for the application of QSAR in the nanosciences is discussed. The role of nanomaterials is rapidly increasing in many aspects of everyday life. This is promoting a wide range of research needs related to both the design of new materials with required properties and performing a comprehensive risk assessment of the manufactured nanoparticles. The development of nanoscience also opens new areas for QSAR modelers. We have begun this contribution with a detailed discussion on the remarkable physical–chemical properties of nanomaterials and their specific toxicities. Both these factors should be considered as potential endpoints for further nano-QSAR studies. Then, we have highlighted the status and research needs in the area of molecular descriptors applicable to nanomaterials. Finally, we have put together currently available nano-QSAR models related to the physico-chemical endpoints of nanoparticles and their activity. Although we have observed many problems (i.e., a lack of experimental data, insufficient and inadequate descriptors), we do believe that application of QSAR methodology will significantly support nanoscience in the near future. Development of reliable nano-QSARs can be considered as the next challenging task for the QSAR community.</div></front></TEI><istex><corpusName>springer-ebooks</corpusName><author><json:item><name>Tomasz Puzyn</name><affiliations><json:string>Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdańsk, ul. Sobieskiego 18/19, 80-952, Gdańsk, Poland</json:string><json:string>E-mail: puzi@qsar.eu.org</json:string></affiliations></json:item><json:item><name>Agnieszka Gajewicz</name><affiliations><json:string>Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdańsk, ul. Sobieskiego 18/19, 80-952, Gdańsk, Poland</json:string></affiliations></json:item><json:item><name>Danuta Leszczynska</name><affiliations><json:string>Department of Civil and Environmental Engineering, Interdisciplinary Nanotoxicity Center, Jackson State University, 39217-0510, Jackson, MS, USA</json:string></affiliations></json:item><json:item><name>Jerzy Leszczynski</name><affiliations><json:string>Department of Chemistry, Interdisciplinary Nanotoxicity Center, Jackson State University, 39217-0510, Jackson, MS, USA</json:string></affiliations></json:item></author><subject><json:item><lang><json:string>eng</json:string></lang><value>Nanomaterials</value></json:item><json:item><lang><json:string>eng</json:string></lang><value>Nanotoxicity</value></json:item><json:item><lang><json:string>eng</json:string></lang><value>Nano-QSAR</value></json:item></subject><arkIstex>ark:/67375/HCB-8014RWVD-9</arkIstex><language><json:string>eng</json:string></language><originalGenre><json:string>OriginalPaper</json:string></originalGenre><abstract>Abstract: In this final chapter a new perspective for the application of QSAR in the nanosciences is discussed. The role of nanomaterials is rapidly increasing in many aspects of everyday life. This is promoting a wide range of research needs related to both the design of new materials with required properties and performing a comprehensive risk assessment of the manufactured nanoparticles. The development of nanoscience also opens new areas for QSAR modelers. We have begun this contribution with a detailed discussion on the remarkable physical–chemical properties of nanomaterials and their specific toxicities. Both these factors should be considered as potential endpoints for further nano-QSAR studies. Then, we have highlighted the status and research needs in the area of molecular descriptors applicable to nanomaterials. Finally, we have put together currently available nano-QSAR models related to the physico-chemical endpoints of nanoparticles and their activity. Although we have observed many problems (i.e., a lack of experimental data, insufficient and inadequate descriptors), we do believe that application of QSAR methodology will significantly support nanoscience in the near future. Development of reliable nano-QSARs can be considered as the next challenging task for the QSAR community.</abstract><qualityIndicators><refBibsNative>false</refBibsNative><abstractWordCount>190</abstractWordCount><abstractCharCount>1314</abstractCharCount><keywordCount>3</keywordCount><score>9.28</score><pdfWordCount>11111</pdfWordCount><pdfCharCount>69832</pdfCharCount><pdfVersion>1.3</pdfVersion><pdfPageCount>27</pdfPageCount><pdfPageSize>439.37 x 666.142 pts</pdfPageSize></qualityIndicators><title>Nanomaterials – the Next Great Challenge for Qsar Modelers</title><chapterId><json:string>14</json:string><json:string>Chap14</json:string></chapterId><genre><json:string>research-article</json:string></genre><serie><title>Challenges and Advances in Computational Chemistry and Physics</title><language><json:string>unknown</json:string></language><copyrightDate>2010</copyrightDate><volume>2</volume></serie><host><title>Recent Advances in QSAR Studies</title><language><json:string>unknown</json:string></language><copyrightDate>2010</copyrightDate><doi><json:string>10.1007/978-1-4020-9783-6</json:string></doi><eisbn><json:string>978-1-4020-9783-6</json:string></eisbn><bookId><json:string>978-1-4020-9783-6</json:string></bookId><isbn><json:string>978-1-4020-9782-9</json:string></isbn><volume>8</volume><pages><first>383</first><last>409</last></pages><genre><json:string>book-series</json:string></genre><editor><json:item><name>Tomasz Puzyn</name><affiliations><json:string>Dept. 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Chemistry</orgName><orgName type="institution">John Moores University</orgName><address><street>Byrom St.</street><settlement>Liverpool</settlement><postCode>L3 3AF</postCode><country key="GB">UNITED KINGDOM</country></address></affiliation></editor><imprint><biblScope unit="vol">8</biblScope><biblScope unit="page" from="383">383</biblScope><biblScope unit="page" to="409">409</biblScope><biblScope unit="chapter-count">14</biblScope><biblScope unit="part-chapter-count">7</biblScope></imprint></monogr><series><title level="s" type="main" xml:lang="en">Challenges and Advances in Computational Chemistry and Physics</title><title level="s" type="abbrev">Challenges,Comp.Chem.,Phys.</title><idno type="seriesID">6918</idno></series></biblStruct></sourceDesc></fileDesc><profileDesc><abstract xml:lang="en"><head>Abstract</head><p>In this final chapter a new perspective for the application of QSAR in the nanosciences is discussed. The role of nanomaterials is rapidly increasing in many aspects of everyday life. This is promoting a wide range of research needs related to both the design of new materials with required properties and performing a comprehensive risk assessment of the manufactured nanoparticles. The development of nanoscience also opens new areas for QSAR modelers. We have begun this contribution with a detailed discussion on the remarkable physical–chemical properties of nanomaterials and their specific toxicities. Both these factors should be considered as potential endpoints for further nano-QSAR studies. Then, we have highlighted the status and research needs in the area of molecular descriptors applicable to nanomaterials. Finally, we have put together currently available nano-QSAR models related to the physico-chemical endpoints of nanoparticles and their activity. Although we have observed many problems (i.e., a lack of experimental data, insufficient and inadequate descriptors), we do believe that application of QSAR methodology will significantly support nanoscience in the near future. Development of reliable nano-QSARs can be considered as the next challenging task for the QSAR community.</p></abstract><textClass ana="keyword"><keywords xml:lang="en"><term>Nanomaterials</term><term>Nanotoxicity</term><term>Nano-QSAR</term></keywords></textClass><textClass ana="subject"><keywords scheme="book-subject-collection"><list><label>SUCO11644</label><item><term>Chemistry and Materials Science</term></item></list></keywords></textClass><textClass ana="subject"><keywords scheme="book-subject"><list><label>C</label><item><term type="Primary">Chemistry</term></item><label>C25007</label><item><term type="Secondary" subtype="priority-1">Theoretical and Computational Chemistry</term></item><label>C28000</label><item><term type="Secondary" subtype="priority-2">Medicinal Chemistry</term></item><label>Z17000</label><item><term type="Secondary" subtype="priority-3">Characterization and Evaluation of Materials</term></item></list></keywords></textClass><langUsage><language ident="EN"></language></langUsage></profileDesc></teiHeader></istex:fulltextTEI><json:item><extension>txt</extension><original>false</original><mimetype>text/plain</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-8014RWVD-9/fulltext.txt</uri></json:item></fulltext><metadata><istex:metadataXml wicri:clean="corpus springer-ebooks not found" wicri:toSee="no header"><istex:xmlDeclaration>version="1.0" encoding="UTF-8"</istex:xmlDeclaration><istex:docType PUBLIC="-//Springer-Verlag//DTD A++ V2.4//EN" URI="http://devel.springer.de/A++/V2.4/DTD/A++V2.4.dtd" name="istex:docType"></istex:docType><istex:document><Publisher><PublisherInfo><PublisherName>Springer Netherlands</PublisherName><PublisherLocation>Dordrecht</PublisherLocation></PublisherInfo><Series><SeriesInfo SeriesType="Series" TocLevels="0"><SeriesID>6918</SeriesID><SeriesTitle Language="En">Challenges and Advances in Computational Chemistry and Physics</SeriesTitle><SeriesAbbreviatedTitle>Challenges,Comp.Chem.,Phys.</SeriesAbbreviatedTitle></SeriesInfo><Book Language="En"><BookInfo BookProductType="Contributed volume" ContainsESM="No" Language="En" MediaType="eBook" NumberingStyle="ChapterContent" OutputMedium="All" TocLevels="0"><BookID>978-1-4020-9783-6</BookID><BookTitle>Recent Advances in QSAR Studies</BookTitle><BookSubTitle>Methods and Applications</BookSubTitle><BookVolumeNumber>8</BookVolumeNumber><BookSequenceNumber>9</BookSequenceNumber><BookDOI>10.1007/978-1-4020-9783-6</BookDOI><BookTitleID>156654</BookTitleID><BookPrintISBN>978-1-4020-9782-9</BookPrintISBN><BookElectronicISBN>978-1-4020-9783-6</BookElectronicISBN><BookChapterCount>14</BookChapterCount><BookCopyright><CopyrightHolderName>Springer Science+Business Media B.V.</CopyrightHolderName><CopyrightYear>2010</CopyrightYear></BookCopyright><BookSubjectGroup><BookSubject Code="C" Type="Primary">Chemistry</BookSubject><BookSubject Code="C25007" Priority="1" Type="Secondary">Theoretical and Computational Chemistry</BookSubject><BookSubject Code="C28000" Priority="2" Type="Secondary">Medicinal Chemistry</BookSubject><BookSubject Code="Z17000" Priority="3" Type="Secondary">Characterization and Evaluation of Materials</BookSubject><SubjectCollection Code="SUCO11644">Chemistry and Materials Science</SubjectCollection></BookSubjectGroup><BookContext><SeriesID>6918</SeriesID></BookContext></BookInfo><BookHeader><EditorGroup><Editor AffiliationIDS="AffID1"><EditorName DisplayOrder="Western"><GivenName>Tomasz</GivenName><FamilyName>Puzyn</FamilyName></EditorName><Contact><Email>puzi@qsar.eu.org</Email></Contact></Editor><Editor AffiliationIDS="AffID2"><EditorName DisplayOrder="Western"><GivenName>Jerzy</GivenName><FamilyName>Leszczynski</FamilyName></EditorName><Contact><Phone>+16019793482</Phone><Fax>+16019797823</Fax><Email>jerzy@icnanotox.org</Email></Contact></Editor><Editor AffiliationIDS="AffID3"><EditorName DisplayOrder="Western"><GivenName>Mark T.</GivenName><FamilyName>Cronin</FamilyName></EditorName><Contact><Email>m.t.cronin@ljmu.ac.uk</Email></Contact></Editor><Affiliation ID="AffID1"><OrgDivision>Dept. 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Chemistry</OrgDivision><OrgName>John Moores University</OrgName><OrgAddress><Street>Byrom St.</Street><City>Liverpool</City><Postcode>L3 3AF</Postcode><Country>United Kingdom</Country></OrgAddress></Affiliation></EditorGroup></BookHeader><Part ID="Part2"><PartInfo OutputMedium="All" TocLevels="0"><PartID>2</PartID><PartNumber>2</PartNumber><PartSequenceNumber>2</PartSequenceNumber><PartTitle>Practical Application</PartTitle><PartChapterCount>7</PartChapterCount><PartContext><SeriesID>6918</SeriesID><BookID>978-1-4020-9783-6</BookID><BookTitle>Recent Advances in QSAR Studies</BookTitle></PartContext></PartInfo><Chapter ID="Chap14" Language="En"><ChapterInfo ChapterType="OriginalPaper" ContainsESM="No" Language="En" NumberingDepth="3" NumberingStyle="ChapterContent" OutputMedium="All" TocLevels="0"><ChapterID>14</ChapterID><ChapterNumber>Chapter 14</ChapterNumber><ChapterDOI>10.1007/978-1-4020-9783-6_14</ChapterDOI><ChapterSequenceNumber>14</ChapterSequenceNumber><ChapterTitle Language="En">Nanomaterials – the Next Great Challenge for Qsar Modelers</ChapterTitle><ChapterFirstPage>383</ChapterFirstPage><ChapterLastPage>409</ChapterLastPage><ChapterCopyright><CopyrightHolderName>Springer Science+Business Media B.V.</CopyrightHolderName><CopyrightYear>2010</CopyrightYear></ChapterCopyright><ChapterHistory><RegistrationDate><Year>2009</Year><Month>6</Month><Day>25</Day></RegistrationDate><OnlineDate><Year>2009</Year><Month>10</Month><Day>30</Day></OnlineDate></ChapterHistory><ChapterGrants Type="Regular"><MetadataGrant Grant="OpenAccess"></MetadataGrant><AbstractGrant Grant="OpenAccess"></AbstractGrant><BodyPDFGrant Grant="Restricted"></BodyPDFGrant><BodyHTMLGrant Grant="Restricted"></BodyHTMLGrant><BibliographyGrant Grant="Restricted"></BibliographyGrant><ESMGrant Grant="Restricted"></ESMGrant></ChapterGrants><ChapterContext><SeriesID>6918</SeriesID><PartID>2</PartID><BookID>978-1-4020-9783-6</BookID><BookTitle>Recent Advances in QSAR Studies</BookTitle></ChapterContext></ChapterInfo><ChapterHeader><AuthorGroup><Author AffiliationIDS="Aff1" CorrespondingAffiliationID="Aff1"><AuthorName DisplayOrder="Western"><GivenName>Tomasz</GivenName><FamilyName>Puzyn</FamilyName></AuthorName><Contact><Email>puzi@qsar.eu.org</Email></Contact></Author><Author AffiliationIDS="Aff1"><AuthorName DisplayOrder="Western"><GivenName>Agnieszka</GivenName><FamilyName>Gajewicz</FamilyName></AuthorName></Author><Author AffiliationIDS="Aff2"><AuthorName DisplayOrder="Western"><GivenName>Danuta</GivenName><FamilyName>Leszczynska</FamilyName></AuthorName></Author><Author AffiliationIDS="Aff3"><AuthorName DisplayOrder="Western"><GivenName>Jerzy</GivenName><FamilyName>Leszczynski</FamilyName></AuthorName></Author><Affiliation ID="Aff1"><OrgDivision>Laboratory of Environmental Chemometrics, Faculty of Chemistry</OrgDivision><OrgName>University of Gdańsk</OrgName><OrgAddress><Street>ul. Sobieskiego 18/19</Street><Postcode>80-952</Postcode><City>Gdańsk</City><Country>Poland</Country></OrgAddress></Affiliation><Affiliation ID="Aff2"><OrgDivision>Department of Civil and Environmental Engineering, Interdisciplinary Nanotoxicity Center</OrgDivision><OrgName>Jackson State University</OrgName><OrgAddress><City>Jackson</City><State>MS</State><Postcode>39217-0510</Postcode><Country>USA</Country></OrgAddress></Affiliation><Affiliation ID="Aff3"><OrgDivision>Department of Chemistry, Interdisciplinary Nanotoxicity Center</OrgDivision><OrgName>Jackson State University</OrgName><OrgAddress><City>Jackson</City><State>MS</State><Postcode>39217-0510</Postcode><Country>USA</Country></OrgAddress></Affiliation></AuthorGroup><Abstract ID="Abs1" Language="En" OutputMedium="All"><Heading>Abstract</Heading><Para>In this final chapter a new perspective for the application of QSAR in the nanosciences is discussed. The role of nanomaterials is rapidly increasing in many aspects of everyday life. This is promoting a wide range of research needs related to both the design of new materials with required properties and performing a comprehensive risk assessment of the manufactured nanoparticles. The development of nanoscience also opens new areas for QSAR modelers. We have begun this contribution with a detailed discussion on the remarkable physical–chemical properties of nanomaterials and their specific toxicities. Both these factors should be considered as potential endpoints for further nano-QSAR studies. Then, we have highlighted the status and research needs in the area of molecular descriptors applicable to nanomaterials. Finally, we have put together currently available nano-QSAR models related to the physico-chemical endpoints of nanoparticles and their activity. Although we have observed many problems (i.e., a lack of experimental data, insufficient and inadequate descriptors), we do believe that application of QSAR methodology will significantly support nanoscience in the near future. Development of reliable nano-QSARs can be considered as the next challenging task for the QSAR community.</Para></Abstract><KeywordGroup Language="En"><Heading>Keywords</Heading><Keyword>Nanomaterials</Keyword><Keyword>Nanotoxicity</Keyword><Keyword>Nano-QSAR</Keyword></KeywordGroup></ChapterHeader><NoBody></NoBody></Chapter></Part></Book></Series></Publisher></istex:document></istex:metadataXml><mods version="3.6"><titleInfo lang="en"><title>Nanomaterials – the Next Great Challenge for Qsar Modelers</title></titleInfo><titleInfo type="alternative" contentType="CDATA"><title>Nanomaterials – the Next Great Challenge for Qsar Modelers</title></titleInfo><name type="personal" displayLabel="corresp"><namePart type="given">Tomasz</namePart><namePart type="family">Puzyn</namePart><affiliation>Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdańsk, ul. Sobieskiego 18/19, 80-952, Gdańsk, Poland</affiliation><affiliation>E-mail: puzi@qsar.eu.org</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">Agnieszka</namePart><namePart type="family">Gajewicz</namePart><affiliation>Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdańsk, ul. Sobieskiego 18/19, 80-952, Gdańsk, Poland</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">Danuta</namePart><namePart type="family">Leszczynska</namePart><affiliation>Department of Civil and Environmental Engineering, Interdisciplinary Nanotoxicity Center, Jackson State University, 39217-0510, Jackson, MS, USA</affiliation><role><roleTerm type="text">author</roleTerm></role></name><name type="personal"><namePart type="given">Jerzy</namePart><namePart type="family">Leszczynski</namePart><affiliation>Department of Chemistry, Interdisciplinary Nanotoxicity Center, Jackson State University, 39217-0510, Jackson, MS, USA</affiliation><role><roleTerm type="text">author</roleTerm></role></name><typeOfResource>text</typeOfResource><genre displayLabel="OriginalPaper" authority="ISTEX" authorityURI="https://content-type.data.istex.fr" type="research-article" valueURI="https://content-type.data.istex.fr/ark:/67375/XTP-1JC4F85T-7">research-article</genre><originInfo><publisher>Springer Netherlands</publisher><place><placeTerm type="text">Dordrecht</placeTerm></place><dateIssued encoding="w3cdtf">2010</dateIssued><copyrightDate encoding="w3cdtf">2010</copyrightDate></originInfo><language><languageTerm type="code" authority="rfc3066">en</languageTerm><languageTerm type="code" authority="iso639-2b">eng</languageTerm></language><abstract lang="en">Abstract: In this final chapter a new perspective for the application of QSAR in the nanosciences is discussed. The role of nanomaterials is rapidly increasing in many aspects of everyday life. This is promoting a wide range of research needs related to both the design of new materials with required properties and performing a comprehensive risk assessment of the manufactured nanoparticles. The development of nanoscience also opens new areas for QSAR modelers. We have begun this contribution with a detailed discussion on the remarkable physical–chemical properties of nanomaterials and their specific toxicities. Both these factors should be considered as potential endpoints for further nano-QSAR studies. Then, we have highlighted the status and research needs in the area of molecular descriptors applicable to nanomaterials. Finally, we have put together currently available nano-QSAR models related to the physico-chemical endpoints of nanoparticles and their activity. Although we have observed many problems (i.e., a lack of experimental data, insufficient and inadequate descriptors), we do believe that application of QSAR methodology will significantly support nanoscience in the near future. Development of reliable nano-QSARs can be considered as the next challenging task for the QSAR community.</abstract><subject lang="en"><genre>Keywords</genre><topic>Nanomaterials</topic><topic>Nanotoxicity</topic><topic>Nano-QSAR</topic></subject><relatedItem type="host"><titleInfo><title>Recent Advances in QSAR Studies</title><subTitle>Methods and Applications</subTitle></titleInfo><name type="personal"><namePart type="given">Tomasz</namePart><namePart type="family">Puzyn</namePart><affiliation>Dept. Chemistry, University of Gdansk, ul. Jana Sobieskiego 18, 80-952, Gdansk, Poland</affiliation><affiliation>E-mail: puzi@qsar.eu.org</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><name type="personal"><namePart type="given">Jerzy</namePart><namePart type="family">Leszczynski</namePart><affiliation>Dept. Chemistry, Jackson State University, J. R. Lynch St. 1325, 39217, Jackson, U.S.A.</affiliation><affiliation>E-mail: jerzy@icnanotox.org</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><name type="personal"><namePart type="given">Mark T.</namePart><namePart type="family">Cronin</namePart><affiliation>Dept. Chemistry, John Moores University, Byrom St., L3 3AF, Liverpool, United Kingdom</affiliation><affiliation>E-mail: m.t.cronin@ljmu.ac.uk</affiliation><role><roleTerm type="text">editor</roleTerm></role></name><genre type="book-series" authority="ISTEX" authorityURI="https://publication-type.data.istex.fr" valueURI="https://publication-type.data.istex.fr/ark:/67375/JMC-0G6R5W5T-Z">book-series</genre><originInfo><publisher>Springer</publisher><copyrightDate encoding="w3cdtf">2010</copyrightDate><issuance>monographic</issuance></originInfo><subject><genre>Book-Subject-Collection</genre><topic authority="SpringerSubjectCodes" authorityURI="SUCO11644">Chemistry and Materials Science</topic></subject><subject><genre>Book-Subject-Group</genre><topic authority="SpringerSubjectCodes" authorityURI="C">Chemistry</topic><topic authority="SpringerSubjectCodes" authorityURI="C25007">Theoretical and Computational Chemistry</topic><topic authority="SpringerSubjectCodes" authorityURI="C28000">Medicinal Chemistry</topic><topic authority="SpringerSubjectCodes" authorityURI="Z17000">Characterization and Evaluation of Materials</topic></subject><identifier type="DOI">10.1007/978-1-4020-9783-6</identifier><identifier type="ISBN">978-1-4020-9782-9</identifier><identifier type="eISBN">978-1-4020-9783-6</identifier><identifier type="BookTitleID">156654</identifier><identifier type="BookID">978-1-4020-9783-6</identifier><identifier type="BookChapterCount">14</identifier><identifier type="BookVolumeNumber">8</identifier><identifier type="BookSequenceNumber">9</identifier><identifier type="PartChapterCount">7</identifier><part><date>2010</date><detail type="part"><title>2: Practical Application</title></detail><detail type="volume"><number>8</number><caption>vol.</caption></detail><detail type="chapter"><number>Chapter 14</number><caption>chapter</caption></detail><extent unit="pages"><start>383</start><end>409</end></extent></part><recordInfo><recordOrigin>Springer Science+Business Media B.V., 2010</recordOrigin></recordInfo></relatedItem><relatedItem type="series"><titleInfo><title>Challenges and Advances in Computational Chemistry and Physics</title></titleInfo><originInfo><publisher>Springer</publisher><copyrightDate encoding="w3cdtf">2010</copyrightDate><issuance>serial</issuance></originInfo><identifier type="SeriesID">6918</identifier><part><detail type="volume"><number>2</number><caption>vol.</caption></detail><detail type="chapter"><number>Chapter 14</number></detail></part><recordInfo><recordOrigin>Springer Science+Business Media B.V., 2010</recordOrigin></recordInfo></relatedItem><identifier type="istex">928D9AA2DD584A0D9D0CD651217D5B16CF9ABFAD</identifier><identifier type="ark">ark:/67375/HCB-8014RWVD-9</identifier><identifier type="DOI">10.1007/978-1-4020-9783-6_14</identifier><identifier type="ChapterID">14</identifier><identifier type="ChapterID">Chap14</identifier><accessCondition type="use and reproduction" contentType="copyright">Springer Science+Business Media B.V., 2010</accessCondition><recordInfo><recordContentSource authority="ISTEX" authorityURI="https://loaded-corpus.data.istex.fr" valueURI="https://loaded-corpus.data.istex.fr/ark:/67375/XBH-RLRX46XW-4">springer</recordContentSource><recordOrigin>Springer Science+Business Media B.V., 2010</recordOrigin></recordInfo></mods><json:item><extension>json</extension><original>false</original><mimetype>application/json</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-8014RWVD-9/record.json</uri></json:item></metadata><annexes><json:item><extension>xml</extension><original>true</original><mimetype>application/xml</mimetype><uri>https://api.istex.fr/ark:/67375/HCB-8014RWVD-9/annexes.xml</uri></json:item></annexes></istex></record>Pour manipuler ce document sous Unix (Dilib)
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