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Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensusProceedings of the National Academy of Sciences - PNAS, 2014-03, Vol.111 (11), p.4067-4072 [Peer Reviewed Journal]copyright © 1993—2008 National Academy of Sciences of the United States of America ;Copyright National Academy of Sciences Mar 18, 2014 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.1320001111 ;PMID: 24591595Full text available |
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Counting on natural products for drug designNature chemistry, , Vol.8 (6), p.531-541 [Peer Reviewed Journal]ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/nchem.2479Full text available |
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Revealing the Macromolecular Targets of Fragment-Like Natural ProductsAngewandte Chemie (International ed.), 2015-09, Vol.54 (36), p.10516-10520 [Peer Reviewed Journal]2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. ;2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim ;ISSN: 1433-7851 ;EISSN: 1521-3773 ;DOI: 10.1002/anie.201504241 ;PMID: 26202212 ;CODEN: ACIEAYFull text available |
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Computational advances in combating colloidal aggregation in drug discoveryNature chemistry, 2019-05, Vol.11 (5), p.402-418 [Peer Reviewed Journal]Springer Nature Limited 2019. ;ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/s41557-019-0234-9 ;PMID: 30988417Full text available |
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Material Type: Article
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DeepDelta: predicting ADMET improvements of molecular derivatives with deep learningJournal of cheminformatics, 2023-10, Vol.15 (1), p.101-101, Article 101 [Peer Reviewed Journal]The Author(s) 2023 ;COPYRIGHT 2023 BioMed Central Ltd. ;The Author(s) 2023. 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/s13321-023-00769-x ;PMID: 37885017Full text available |
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Material Type: Article
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Revealing the macromolecular targets of complex natural productsNature chemistry, 2014-12, Vol.6 (12), p.1072-1078 [Peer Reviewed Journal]Copyright Nature Publishing Group Dec 2014 ;ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/nchem.2095 ;PMID: 25411885Full text available |
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Material Type: Article
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Machine Learning Uncovers Food- and Excipient-Drug InteractionsCell reports (Cambridge), 2020-03, Vol.30 (11), p.3710-3716.e4 [Peer Reviewed Journal]2020 The Author(s) ;Copyright © 2020 The Author(s). Published by Elsevier Inc. All rights reserved. ;ISSN: 2211-1247 ;EISSN: 2211-1247 ;DOI: 10.1016/j.celrep.2020.02.094 ;PMID: 32187543Full text available |
8 |
Material Type: Article
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Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' MoleculesMolecular informatics, 2013-02, Vol.32 (2), p.133-138 [Peer Reviewed Journal]Copyright © 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim 2013 ;ISSN: 1868-1743 ;EISSN: 1868-1751 ;DOI: 10.1002/minf.201200141 ;PMID: 23956801Full text available |
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Material Type: Article
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Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrAAngewandte Chemie (International ed.), 2015-08, Vol.54 (35), p.10244-10248 [Peer Reviewed Journal]2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. ;ISSN: 1433-7851 ;EISSN: 1521-3773 ;DOI: 10.1002/anie.201504035 ;PMID: 26069090Full text available |
10 |
Material Type: Article
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Diagnosing capillary leak in critically ill patients: development of an innovative scoring instrument for non-invasive detectionAnnals of intensive care, 2021-12, Vol.11 (1), p.175-175, Article 175 [Peer Reviewed Journal]The Author(s) 2021 ;2021. The Author(s). ;COPYRIGHT 2021 Springer ;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: 2110-5820 ;EISSN: 2110-5820 ;DOI: 10.1186/s13613-021-00965-8 ;PMID: 34910264Full text available |
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Material Type: Article
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New use of an old drug: inhibition of breast cancer stem cells by benztropine mesylateOncotarget, 2017-01, Vol.8 (1), p.1007-1022Copyright: © 2017 Cui et al. 2017 ;ISSN: 1949-2553 ;EISSN: 1949-2553 ;DOI: 10.18632/oncotarget.13537 ;PMID: 27894093Full text available |
12 |
Material Type: Article
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Combating small-molecule aggregation with machine learningCell reports physical science, 2021-09, Vol.2 (9), p.100573, Article 100573 [Peer Reviewed Journal]2021 The Author(s) ;ISSN: 2666-3864 ;EISSN: 2666-3864 ;DOI: 10.1016/j.xcrp.2021.100573Full text available |
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Material Type: Article
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Angiopoietin-2 is associated with capillary leak and predicts complications after cardiac surgeryAnnals of intensive care, 2023-08, Vol.13 (1), p.70-70, Article 70 [Peer Reviewed Journal]The Author(s) 2023 ;2023. La Société de Réanimation de Langue Francaise = The French Society of Intensive Care (SRLF). ;COPYRIGHT 2023 Springer ;The Author(s) 2023. 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. ;La Société de Réanimation de Langue Francaise = The French Society of Intensive Care (SRLF) 2023 ;ISSN: 2110-5820 ;EISSN: 2110-5820 ;DOI: 10.1186/s13613-023-01165-2 ;PMID: 37552379Full text available |
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Material Type: Article
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Deorphaning Pyrrolopyrazines as Potent Multi-Target Antimalarial AgentsAngewandte Chemie (International ed.), 2014-07, Vol.53 (27), p.7079-7084 [Peer Reviewed Journal]2014 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. ;ISSN: 1433-7851 ;EISSN: 1521-3773 ;DOI: 10.1002/anie.201311162 ;PMID: 24895172 ;CODEN: ACIEAYFull text available |
15 |
Material Type: Article
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Coping with polypharmacology by computational medicinal chemistryChimia, 2014-09, Vol.68 (9), p.648-653 [Peer Reviewed Journal]ISSN: 0009-4293 ;EISSN: 2673-2424 ;DOI: 10.2533/chimia.2014.648 ;PMID: 25437786Full text available |
16 |
Material Type: Article
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Dynamic Monitoring of Systemic Biomarkers with Gastric SensorsAdvanced science, 2021-12, Vol.8 (24), p.e2102861-n/a [Peer Reviewed Journal]2021 The Authors. Advanced Science published by Wiley‐VCH GmbH ;2021 The Authors. Advanced Science published by Wiley-VCH GmbH. ;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: 2198-3844 ;EISSN: 2198-3844 ;DOI: 10.1002/advs.202102861 ;PMID: 34713599Full text available |
17 |
Material Type: Article
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Counting on natural products for drug designNature chemistry, 2016-06, Vol.8 (6), p.531-541 [Peer Reviewed Journal]Copyright Nature Publishing Group Jun 2016 ;ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/NCHEM.2479 ;PMID: 27219696Full text available |
18 |
Material Type: Article
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Artificial intelligence in chemistry and drug designJournal of computer-aided molecular design, 2020-07, Vol.34 (7), p.709-715 [Peer Reviewed Journal]Springer Nature Switzerland AG 2020 ;Springer Nature Switzerland AG 2020. ;ISSN: 0920-654X ;EISSN: 1573-4951 ;DOI: 10.1007/s10822-020-00317-x ;PMID: 32468207Full text available |
19 |
Material Type: Article
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Active learning for computational chemogenomicsFuture medicinal chemistry, 2017-03, Vol.9 (4), p.381-402 [Peer Reviewed Journal]Future Science Ltd ;ISSN: 1756-8919 ;EISSN: 1756-8927 ;DOI: 10.4155/fmc-2016-0197 ;PMID: 28263088Full text available |
20 |
Material Type: Article
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Abstract 11618: Angiopoietin-2 is Associated With Capillary Leak and Complications After Cardiac SurgeryCirculation (New York, N.Y.), 2022-11, Vol.146 (Suppl_1) [Peer Reviewed Journal]ISSN: 0009-7322 ;EISSN: 1524-4539 ;DOI: 10.1161/circ.146.suppl_1.11618Full text available |