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Results 1 - 20 of 31,255  for All Library Resources

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1
Quantum Attacks without Superposition Queries: the Offline Simon's Algorithm
Material Type:
Conference Proceeding
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Quantum Attacks without Superposition Queries: the Offline Simon's Algorithm

Attribution ;DOI: 10.1007/978-3-030-34578-5_20

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2
Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study
Material Type:
Article
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Fast Identification of Possible Drug Treatment of Coronavirus Disease-19 (COVID-19) through Computational Drug Repurposing Study

Journal 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.0c00179

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3
Molecular representations in AI-driven drug discovery: a review and practical guide
Material Type:
Article
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Molecular representations in AI-driven drug discovery: a review and practical guide

Journal 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: 33431035

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4
Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based models
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 models

Journal 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: 33597034

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5
Review on natural products databases: where to find data in 2020
Material Type:
Article
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Review on natural products databases: where to find data in 2020

Journal 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: 33431011

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6
Chaos-based Cryptography: Theory, Algorithms and Applications
Material Type:
Book
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Chaos-based Cryptography: Theory, Algorithms and Applications

Springer 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: 753486365

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7
SARS-CoV-2 Main Protease: A Molecular Dynamics Study
Material Type:
Article
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SARS-CoV-2 Main Protease: A Molecular Dynamics Study

Journal 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.0c00575

Digital Resources/Online E-Resources

8
COCONUT online: Collection of Open Natural Products database
Material Type:
Article
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COCONUT online: Collection of Open Natural Products database

Journal 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: 33423696

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9
Forkcipher: A New Primitive for Authenticated Encryption of Very Short Messages
Material Type:
Conference Proceeding
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Forkcipher: A New Primitive for Authenticated Encryption of Very Short Messages

Attribution ;DOI: 10.1007/978-3-030-34621-8_6

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10
Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?
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: 26052348

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11
An open source chemical structure curation pipeline using RDKit
Material Type:
Article
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An open source chemical structure curation pipeline using RDKit

Journal 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: 33431044

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12
ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database
Material Type:
Article
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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

Journal 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: 29943074

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13
Impact of early pandemic stage mutations on molecular dynamics of SARS-CoV-2 Mpro
Material Type:
Article
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Impact of early pandemic stage mutations on molecular dynamics of SARS-CoV-2 Mpro

Journal 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.0c00634

Digital Resources/Online E-Resources

14
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
Material Type:
Article
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The CompTox Chemistry Dashboard: a community data resource for environmental chemistry

Journal 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: 29185060

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15
PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials
Material Type:
Article
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PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

Journal 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.9b00994

Digital Resources/Online E-Resources

16
OPERA models for predicting physicochemical properties and environmental fate endpoints
Material Type:
Article
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OPERA models for predicting physicochemical properties and environmental fate endpoints

Journal 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: 29520515

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17
One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome
Material Type:
Article
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One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome

Journal 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: 33431010

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18
InChI, the IUPAC International Chemical Identifier
Material Type:
Article
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InChI, the IUPAC International Chemical Identifier

Journal 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: 26136848

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19
A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions
Material Type:
Article
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A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directions

Journal 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: 33431024

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20
Cross-validation pitfalls when selecting and assessing regression and classification models
Material Type:
Article
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Cross-validation pitfalls when selecting and assessing regression and classification models

Journal 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: 24678909

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