Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Conference Proceeding
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Quantum Attacks without Superposition Queries: the Offline Simon's AlgorithmAttribution ;DOI: 10.1007/978-3-030-34578-5_20Digital Resources/Online E-Resources |
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2 |
Material Type: Article
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Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing StudyJournal of Chemical Information and Modeling, 2020-06, Vol.60 (6) [Peer Reviewed Journal]2020. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the associated terms available at https://www.acs.org/content/acs/en/terms.html ;DOI: 10.1021/acs.jcim.0c00179Digital Resources/Online E-Resources |
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3 |
Material Type: Article
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Molecular representations in AI-driven drug discovery: a review and practical guideJournal of cheminformatics, 2020-09, Vol.12 (1), p.56-56, Article 56 [Peer Reviewed Journal]The Author(s) 2020 ;COPYRIGHT 2020 BioMed Central Ltd. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00460-5 ;PMID: 33431035Full text available |
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4 |
Material Type: Article
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Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based modelsJournal of cheminformatics, 2021-02, Vol.13 (1), p.12-12, Article 12 [Peer Reviewed Journal]The Author(s) 2021 ;COPYRIGHT 2021 BioMed Central Ltd. ;The Author(s) 2021. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00479-8 ;PMID: 33597034Full text available |
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5 |
Material Type: Article
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Review on natural products databases: where to find data in 2020Journal of cheminformatics, 2020-04, Vol.12 (1), p.20-20, Article 20 [Peer Reviewed Journal]The Author(s) 2020 ;COPYRIGHT 2020 BioMed Central Ltd. ;The Author(s) 2020. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00424-9 ;PMID: 33431011Full text available |
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6 |
Material Type: Book
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Chaos-based Cryptography: Theory, Algorithms and ApplicationsSpringer Berlin Heidelberg 2011 ;ISSN: 1860-949X ;ISBN: 3642205429 ;ISBN: 9783642205422 ;ISBN: 3642205410 ;ISBN: 9783642205415 ;EISSN: 1860-9503 ;EISBN: 3642205429 ;EISBN: 9783642205422 ;DOI: 10.1007/978-3-642-20542-2 ;OCLC: 753486365Full text available |
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7 |
Material Type: Article
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SARS-CoV-2 Main Protease: A Molecular Dynamics StudyJournal of Chemical Information and Modeling, 2020-12 [Peer Reviewed Journal]2020. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the associated terms available at https://www.acs.org/content/acs/en/terms.html ;DOI: 10.1021/acs.jcim.0c00575Digital Resources/Online E-Resources |
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8 |
Material Type: Article
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COCONUT online: Collection of Open Natural Products databaseJournal of cheminformatics, 2021-01, Vol.13 (1), p.2-2, Article 2 [Peer Reviewed Journal]The Author(s) 2021 ;COPYRIGHT 2021 BioMed Central Ltd. ;The Author(s) 2021. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00478-9 ;PMID: 33423696Full text available |
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9 |
Material Type: Conference Proceeding
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Forkcipher: A New Primitive for Authenticated Encryption of Very Short MessagesAttribution ;DOI: 10.1007/978-3-030-34621-8_6Digital Resources/Online E-Resources |
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10 |
Material Type: Article
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Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?Journal of cheminformatics, 2015-05, Vol.7 (1), p.20-20, Article 20 [Peer Reviewed Journal]Bajusz et al. 2015. This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( ), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver ( ) applies to the data made available in this article, unless otherwise stated. ;Journal of Cheminformatics is a copyright of Springer, 2015. ;Bajusz et al. 2015 ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-015-0069-3 ;PMID: 26052348Full text available |
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11 |
Material Type: Article
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An open source chemical structure curation pipeline using RDKitJournal of cheminformatics, 2020-09, Vol.12 (1), p.51-51, Article 51 [Peer Reviewed Journal]The Author(s) 2020 ;COPYRIGHT 2020 BioMed Central Ltd. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00456-1 ;PMID: 33431044Full text available |
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12 |
Material Type: Article
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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET databaseJournal of cheminformatics, 2018-06, Vol.10 (1), p.29-11, Article 29 [Peer Reviewed Journal]The Author(s) 2018 ;COPYRIGHT 2018 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2018). All Rights Reserved. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-018-0283-x ;PMID: 29943074Full text available |
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13 |
Material Type: Article
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Impact of early pandemic stage mutations on molecular dynamics of SARS-CoV-2 MproJournal of Chemical Information and Modeling, 2020-10 [Peer Reviewed Journal]2020. Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the associated terms available at https://www.acs.org/content/acs/en/terms.html ;DOI: 10.1021/acs.jcim.0c00634Digital Resources/Online E-Resources |
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14 |
Material Type: Article
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The CompTox Chemistry Dashboard: a community data resource for environmental chemistryJournal of cheminformatics, 2017-11, Vol.9 (1), p.61-27, Article 61 [Peer Reviewed Journal]The Author(s) 2017 ;COPYRIGHT 2017 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2017). All Rights Reserved. © 2017. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-017-0247-6 ;PMID: 29185060Full text available |
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15 |
Material Type: Article
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PiNN: A Python Library for Building Atomic Neural Networks of Molecules and MaterialsJournal of chemical information and modeling, 2020-03, Vol.60 (3), p.1184 [Peer Reviewed Journal]ISSN: 1549-9596 ;ISSN: 1549-960X ;EISSN: 1549-960X ;DOI: 10.1021/acs.jcim.9b00994Digital Resources/Online E-Resources |
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16 |
Material Type: Article
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OPERA models for predicting physicochemical properties and environmental fate endpointsJournal of cheminformatics, 2018-03, Vol.10 (1), p.10-19, Article 10 [Peer Reviewed Journal]The Author(s) 2018 ;COPYRIGHT 2018 BioMed Central Ltd. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-018-0263-1 ;PMID: 29520515Full text available |
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17 |
Material Type: Article
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One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolomeJournal of cheminformatics, 2020-06, Vol.12 (1), p.43-43, Article 43 [Peer Reviewed Journal]The Author(s) 2020 ;COPYRIGHT 2020 BioMed Central Ltd. ;The Author(s) 2020. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00445-4 ;PMID: 33431010Full text available |
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18 |
Material Type: Article
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InChI, the IUPAC International Chemical IdentifierJournal of cheminformatics, 2015-05, Vol.7 (1), p.23-23, Article 23 [Peer Reviewed Journal]Heller et al. 2015. This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( ), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver ( ) applies to the data made available in this article, unless otherwise stated. ;Journal of Cheminformatics is a copyright of Springer, 2015. ;Heller et al. 2015 ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-015-0068-4 ;PMID: 26136848Full text available |
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19 |
Material Type: Article
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A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directionsJournal of cheminformatics, 2020-07, Vol.12 (1), p.46-46, Article 46 [Peer Reviewed Journal]The Author(s) 2020 ;COPYRIGHT 2020 BioMed Central Ltd. ;The Author(s) 2020. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-020-00450-7 ;PMID: 33431024Full text available |
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20 |
Material Type: Article
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Cross-validation pitfalls when selecting and assessing regression and classification modelsJournal of cheminformatics, 2014-03, Vol.6 (1), p.10-10, Article 10 [Peer Reviewed Journal]Krstajic et al.; licensee Chemistry Central Ltd. 2014. This article is published under license to BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License ( ), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver ( ) applies to the data made available in this article, unless otherwise stated. ;2014 Krstajic et al.; licensee Chemistry Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated. ;Krstajic et al.; licensee Chemistry Central Ltd. 2014 ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/1758-2946-6-10 ;PMID: 24678909Full text available |