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1
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus
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Identifying the macromolecular targets of de novo-designed chemical entities through self-organizing map consensus

Proceedings 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: 24591595

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2
Counting on natural products for drug design
Counting on natural products for drug design
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Counting on natural products for drug design

Nature chemistry, , Vol.8 (6), p.531-541 [Peer Reviewed Journal]

ISSN: 1755-4330 ;EISSN: 1755-4349 ;DOI: 10.1038/nchem.2479

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3
Revealing the Macromolecular Targets of Fragment-Like Natural Products
Revealing the Macromolecular Targets of Fragment-Like Natural Products
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Revealing the Macromolecular Targets of Fragment-Like Natural Products

Angewandte 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: ACIEAY

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4
Computational advances in combating colloidal aggregation in drug discovery
Computational advances in combating colloidal aggregation in drug discovery
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Computational advances in combating colloidal aggregation in drug discovery

Nature 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: 30988417

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5
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning
DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning
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DeepDelta: predicting ADMET improvements of molecular derivatives with deep learning

Journal 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: 37885017

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6
Revealing the macromolecular targets of complex natural products
Revealing the macromolecular targets of complex natural products
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Revealing the macromolecular targets of complex natural products

Nature 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: 25411885

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7
Machine Learning Uncovers Food- and Excipient-Drug Interactions
Machine Learning Uncovers Food- and Excipient-Drug Interactions
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Machine Learning Uncovers Food- and Excipient-Drug Interactions

Cell 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: 32187543

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8
Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules
Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules
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Chemically Advanced Template Search (CATS) for Scaffold-Hopping and Prospective Target Prediction for 'Orphan' Molecules

Molecular 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: 23956801

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9
Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA
Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA
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Fragment-Based De Novo Design Reveals a Small-Molecule Inhibitor of Helicobacter Pylori HtrA

Angewandte 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: 26069090

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10
Diagnosing capillary leak in critically ill patients: development of an innovative scoring instrument for non-invasive detection
Diagnosing capillary leak in critically ill patients: development of an innovative scoring instrument for non-invasive detection
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Diagnosing capillary leak in critically ill patients: development of an innovative scoring instrument for non-invasive detection

Annals 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: 34910264

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11
Combating small-molecule aggregation with machine learning
Combating small-molecule aggregation with machine learning
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Combating small-molecule aggregation with machine learning

Cell 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.2021.100573

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12
Angiopoietin-2 is associated with capillary leak and predicts complications after cardiac surgery
Angiopoietin-2 is associated with capillary leak and predicts complications after cardiac surgery
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Angiopoietin-2 is associated with capillary leak and predicts complications after cardiac surgery

Annals 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: 37552379

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13
Deorphaning Pyrrolopyrazines as Potent Multi-Target Antimalarial Agents
Deorphaning Pyrrolopyrazines as Potent Multi-Target Antimalarial Agents
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Deorphaning Pyrrolopyrazines as Potent Multi-Target Antimalarial Agents

Angewandte 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: ACIEAY

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14
Coping with polypharmacology by computational medicinal chemistry
Coping with polypharmacology by computational medicinal chemistry
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Coping with polypharmacology by computational medicinal chemistry

Chimia, 2014-09, Vol.68 (9), p.648-653 [Peer Reviewed Journal]

ISSN: 0009-4293 ;EISSN: 2673-2424 ;DOI: 10.2533/chimia.2014.648 ;PMID: 25437786

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15
Dynamic Monitoring of Systemic Biomarkers with Gastric Sensors
Dynamic Monitoring of Systemic Biomarkers with Gastric Sensors
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Dynamic Monitoring of Systemic Biomarkers with Gastric Sensors

Advanced 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: 34713599

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16
Counting on natural products for drug design
Counting on natural products for drug design
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Counting on natural products for drug design

Nature 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: 27219696

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17
Artificial intelligence in chemistry and drug design
Artificial intelligence in chemistry and drug design
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Artificial intelligence in chemistry and drug design

Journal 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: 32468207

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18
Active learning for computational chemogenomics
Active learning for computational chemogenomics
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Active learning for computational chemogenomics

Future 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: 28263088

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19
Abstract 11618: Angiopoietin-2 is Associated With Capillary Leak and Complications After Cardiac Surgery
Abstract 11618: Angiopoietin-2 is Associated With Capillary Leak and Complications After Cardiac Surgery
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Abstract 11618: Angiopoietin-2 is Associated With Capillary Leak and Complications After Cardiac Surgery

Circulation (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_1.11618

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20
Adaptive Optimization of Chemical Reactions with Minimal Experimental Information
Adaptive Optimization of Chemical Reactions with Minimal Experimental Information
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Adaptive Optimization of Chemical Reactions with Minimal Experimental Information

Cell reports physical science, 2020-11, Vol.1 (11), p.100247, Article 100247 [Peer Reviewed Journal]

2020 The Author(s) ;ISSN: 2666-3864 ;EISSN: 2666-3864 ;DOI: 10.1016/j.xcrp.2020.100247

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