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Material Type: Article
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Comparative chemical profiling, cholinesterase inhibitions and anti-radicals properties of essential oils from Polygonum hydropiper L: a preliminary anti- Alzheimer's studyLipids in health and disease, 2015-11, Vol.14 (137), p.141-141, Article 141 [Peer Reviewed Journal]COPYRIGHT 2015 BioMed Central Ltd. ;Copyright BioMed Central 2015 ;Ayaz et al. 2015 ;ISSN: 1476-511X ;EISSN: 1476-511X ;DOI: 10.1186/s12944-015-0145-8 ;PMID: 26530857Full text available |
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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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Material Type: Article
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Antimicrobial and antioxidant activity of kaempferol rhamnoside derivatives from Bryophyllum pinnatumBMC research notes, 2012-03, Vol.5 (1), p.158-158, Article 158 [Peer Reviewed Journal]COPYRIGHT 2012 BioMed Central Ltd. ;COPYRIGHT 2012 BioMed Central Ltd. ;2011 Tatsimo Ndendoung 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 ©2011 Tatsimo Ndendoung et al; licensee BioMed Central Ltd. 2011 Tatsimo Ndendoung et al; licensee BioMed Central Ltd. ;ISSN: 1756-0500 ;EISSN: 1756-0500 ;DOI: 10.1186/1756-0500-5-158 ;PMID: 22433844Full text available |
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4 |
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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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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Material Type: Article
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A de novo molecular generation method using latent vector based generative adversarial networkJournal of cheminformatics, 2019-12, Vol.11 (1), p.74-13, Article 74 [Peer Reviewed Journal]The Author(s) 2019 ;COPYRIGHT 2019 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2019). All Rights Reserved. © 2019. 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/s13321-019-0397-9 ;PMID: 33430938Full text available |
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7 |
Material Type: Article
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Mangiferin: a natural miracle bioactive compound against lifestyle related disordersLipids in health and disease, 2017-05, Vol.16 (1), p.84-84, Article 84 [Peer Reviewed Journal]Copyright BioMed Central 2017 ;The Author(s). 2017 ;ISSN: 1476-511X ;EISSN: 1476-511X ;DOI: 10.1186/s12944-017-0449-y ;PMID: 28464819Full text available |
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8 |
Material Type: Article
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Mol-CycleGAN: a generative model for molecular optimizationJournal of cheminformatics, 2020-01, Vol.12 (1), p.2-2, Article 2 [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/s13321-019-0404-1 ;PMID: 33431006Full text available |
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9 |
Material Type: Article
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Randomized SMILES strings improve the quality of molecular generative modelsJournal of cheminformatics, 2019-11, Vol.11 (1), p.71-13, Article 71 [Peer Reviewed Journal]The Author(s) 2019 ;COPYRIGHT 2019 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2019). All Rights Reserved. © 2019. 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/s13321-019-0393-0 ;PMID: 33430971Full text available |
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10 |
Material Type: Article
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Visualization of very large high-dimensional data sets as minimum spanning treesJournal of cheminformatics, 2020-02, Vol.12 (1), p.12-12, Article 12 [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/s13321-020-0416-x ;PMID: 33431043Full text available |
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11 |
Material Type: Article
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P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structureJournal of cheminformatics, 2018-08, Vol.10 (1), p.39-12, Article 39 [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/s13321-018-0285-8 ;PMID: 30109435Full text available |
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12 |
Material Type: Article
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Determination of antibacterial activity and minimum inhibitory concentration of larval extract of fly via resazurin-based turbidometric assayBMC microbiology, 2017-02, Vol.17 (1), p.36-36, Article 36 [Peer Reviewed Journal]COPYRIGHT 2017 BioMed Central Ltd. ;COPYRIGHT 2017 BioMed Central Ltd. ;Copyright BioMed Central 2017 ;The Author(s). 2017 ;ISSN: 1471-2180 ;EISSN: 1471-2180 ;DOI: 10.1186/s12866-017-0936-3 ;PMID: 28209130Full text available |
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13 |
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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14 |
Material Type: Article
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Orientation and characterization of immobilized antibodies for improved immunoassays (Review)Biointerphases, 2017-06, Vol.12 (2), p.02D301-02D301 [Peer Reviewed Journal]ISSN: 1934-8630 ;EISSN: 1559-4106 ;DOI: 10.1116/1.4978435 ;PMID: 28301944Full text available |
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15 |
Material Type: Article
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Building attention and edge message passing neural networks for bioactivity and physical–chemical property predictionJournal of cheminformatics, 2020-01, Vol.12 (1), p.1-1, Article 1 [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/s13321-019-0407-y ;PMID: 33430988Full text available |
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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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Molecular de-novo design through deep reinforcement learningJournal of cheminformatics, 2017-09, Vol.9 (1), p.48-14, Article 48 [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/s13321-017-0235-x ;PMID: 29086083Full text available |
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18 |
Material Type: Article
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BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identificationJournal of cheminformatics, 2019-01, Vol.11 (1), p.2-25, Article 2 [Peer Reviewed Journal]The Author(s) 2019 ;COPYRIGHT 2019 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, (2019). All Rights Reserved. © 2019. 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. ;Attribution ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-018-0324-5 ;PMID: 30612223Full text available |
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19 |
Material Type: Article
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Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystalsJournal of cheminformatics, 2016-03, Vol.8 (1), p.17-17, Article 17 [Peer Reviewed Journal]Okhotnikov et al. 2016 ;COPYRIGHT 2016 BioMed Central Ltd. ;Journal of Cheminformatics is a copyright of Springer, 2016. ;Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 1758-2946 ;EISSN: 1758-2946 ;DOI: 10.1186/s13321-016-0129-3 ;PMID: 27042215Full text available |
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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 |