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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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| 1 |
Material Type: Article
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CERAPP: Collaborative Estrogen Receptor Activity Prediction ProjectEnvironmental health perspectives, 2016-07, Vol.124 (7), p.1023-1033 [Peer Reviewed Journal]COPYRIGHT 2016 National Institute of Environmental Health Sciences ;COPYRIGHT 2016 National Institute of Environmental Health Sciences ;Copyright National Institute of Environmental Health Sciences Jul 2016 ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0091-6765 ;ISSN: 1552-9924 ;EISSN: 1552-9924 ;DOI: 10.1289/ehp.1510267 ;PMID: 26908244Full text available |
| 2 |
Material Type: Article
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CoMPARA: Collaborative Modeling Project for Androgen Receptor ActivityEnvironmental health perspectives, 2020-02, Vol.128 (2), p.27002 [Peer Reviewed Journal]COPYRIGHT 2020 National Institute of Environmental Health Sciences ;COPYRIGHT 2020 National Institute of Environmental Health Sciences ;Reproduced from Environmental Health Perspectives. This article is published under https://ehp.niehs.nih.gov/about-ehp/copyright-permissions (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;Public Domain ;ISSN: 0091-6765 ;ISSN: 1552-9924 ;EISSN: 1552-9924 ;DOI: 10.1289/EHP5580 ;PMID: 32074470Full text available |
| 3 |
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Drug Target Commons: A Community Effort to Build a Consensus Knowledge Base for Drug-Target InteractionsCell chemical biology, 2018-02, Vol.25 (2), p.224 [Peer Reviewed Journal]ISSN: 2451-9448 ;DOI: 10.1016/j.chembiol.2017.11.009Digital Resources/Online E-Resources |
| 4 |
Material Type: Article
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The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingJournal of cheminformatics, 2017-06, Vol.9 (1), p.33-19, Article 33 [Peer Reviewed Journal]The Author(s) 2017 ;COPYRIGHT 2017 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2017). All Rights Reserved. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-017-0220-4 ;PMID: 29086040Full text available |
| 5 |
Material Type: Article
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Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced KrigingJournal of chemical theory and computation, 2020-06, Vol.16 (6), p.3989-4001 [Peer Reviewed Journal]Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1549-9618 ;ISSN: 1549-9626 ;EISSN: 1549-9626 ;DOI: 10.1021/acs.jctc.0c00257 ;PMID: 32374164Digital Resources/Online E-Resources |
| 6 |
Material Type: Article
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Towards reproducible computational drug discoveryJournal of cheminformatics, 2020-01, Vol.12 (1), p.9-9, Article 9 [Peer Reviewed Journal]The Author(s) 2020 ;COPYRIGHT 2020 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2020). All Rights Reserved. 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/s13321-020-0408-x ;PMID: 33430992Full text available |
| 7 |
Material Type: Article
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NMReDATA: Tools and applicationsMagnetic resonance in chemistry, 2021-08, Vol.59 (8), p.792 [Peer Reviewed Journal]Attribution ;ISSN: 0749-1581 ;ISSN: 1097-458X ;EISSN: 1097-458X ;DOI: 10.1002/mrc.5146 ;PMID: 33729627Digital Resources/Online E-Resources |
| 8 |
Material Type: Article
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Metabolic control of DNA methylation in naive pluripotent cellsNature genetics, 2021-02, Vol.53 (2), p.215-229 [Peer Reviewed Journal]Copyright Nature Publishing Group Feb 2021 ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1061-4036 ;ISSN: 1546-1718 ;EISSN: 1546-1718 ;DOI: 10.1038/s41588-020-00770-2 ;PMID: 33526924Full text available |
| 9 |
Material Type: Article
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The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometryEnvironmental sciences Europe, 2022, Vol.34 (1), p.104, Article 104 [Peer Reviewed Journal]The Author(s) 2022 ;The Author(s) 2022. ;The Author(s) 2022. 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. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 2190-4707 ;ISSN: 2190-4715 ;EISSN: 2190-4715 ;DOI: 10.1186/s12302-022-00680-6 ;PMID: 36284750Full text available |
| 10 |
Material Type: Article
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Efficient iterative virtual screening with Apache Spark and conformal predictionJournal of cheminformatics, 2018-03, Vol.10 (1), p.8-8, Article 8 [Peer Reviewed Journal]The Author(s) 2018 ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-018-0265-z ;PMID: 29492726Full text available |
| 11 |
Material Type: Article
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Cheminformatics-aided pharmacovigilance: application to Stevens-Johnson SyndromeJournal of the American Medical Informatics Association : JAMIA, 2016-09, Vol.23 (5), p.968-978 [Peer Reviewed Journal]The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association. 2015 ;The Author 2015. Published by Oxford University Press on behalf of the American Medical Informatics Association. ;ISSN: 1067-5027 ;ISSN: 1527-974X ;EISSN: 1527-974X ;DOI: 10.1093/jamia/ocv127 ;PMID: 26499102Full text available |
| 12 |
Material Type: Article
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Maximizing gain in high-throughput screening using conformal predictionJournal of cheminformatics, 2018-02, Vol.10 (1), p.7-10, Article 7 [Peer Reviewed Journal]The Author(s) 2018 ;COPYRIGHT 2018 BioMed Central Ltd. ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-018-0260-4 ;PMID: 29468427Full text available |
| 13 |
Material Type: Article
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Bioclipse 2: a scriptable integration platform for the life sciencesBMC bioinformatics, 2009-12, Vol.10 (1), p.397-397, Article 397 [Peer Reviewed Journal]2009 Spjuth et al; licensee BioMed 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 cited. ;Copyright ©2009 Spjuth et al; licensee BioMed Central Ltd. 2009 Spjuth et al; licensee BioMed Central Ltd. ;ISSN: 1471-2105 ;EISSN: 1471-2105 ;DOI: 10.1186/1471-2105-10-397 ;PMID: 19958528Full text available |
| 14 |
Material Type: Thesises (postgraduate)
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Sampling from molecular unnormalized distributions with Deep Generative ModelsDigital Resources/Online E-Resources |
| 15 |
Material Type: Article
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CDK-Taverna: an open workflow environment for cheminformaticsBMC bioinformatics, 2010-03, Vol.11 (1), p.159-159, Article 159 [Peer Reviewed Journal]COPYRIGHT 2010 BioMed Central Ltd. ;2010 Kuhn et al; licensee BioMed 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 cited. ;Copyright ©2010 Kuhn et al; licensee BioMed Central Ltd. 2010 Kuhn et al; licensee BioMed Central Ltd. ;ISSN: 1471-2105 ;EISSN: 1471-2105 ;DOI: 10.1186/1471-2105-11-159 ;PMID: 20346188Full text available |
| 16 |
Material Type: Article
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Novel applications of Machine Learning in cheminformaticsJournal of cheminformatics, 2018-09, Vol.10 (1), p.46-2, Article 46 [Peer Reviewed Journal]The Author(s) 2018 ;COPYRIGHT 2018 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2018). All Rights Reserved. © 2018. 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/s13321-018-0301-z ;PMID: 30191348Full text available |
| 17 |
Material Type: Thesises (postgraduate)
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Intelligent data acquisition for drug design through combinatorial library designDigital Resources/Online E-Resources |
| 18 |
Material Type: Article
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Towards interoperable and reproducible QSAR analyses: Exchange of data setsJournal of cheminformatics, 2010, Vol.2 [Peer Reviewed Journal]ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/1758-2946-2-5Full text available |
| 19 |
Material Type: Thesises (postgraduate)
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Ligand-based Methods for Data Management and ModellingISBN: 9789155492373 ;ISBN: 9155492371Digital Resources/Online E-Resources |
| 20 |
Material Type: Conference Proceeding
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A Permissioned Blockchain-based System for Collaborative Drug Discovery7th International Conference on Information Systems Security and Privacy, ICISSP 2021,Online Streaming,2021-02-11 - 2021-02-13, 2021, p.121ISBN: 9789897584916 ;ISBN: 9897584919 ;DOI: 10.5220/0010236901210132Digital Resources/Online E-Resources |
Results 1 - 20 of 21 for All Library Resources
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