DrugCentral 2018: an update

被引：97

作者：

Ursu, Oleg ^{[1
]}

Holmes, Jayme ^{[1
]}

Bologa, Cristian G. ^{[1
]}

Yang, Jeremy J. ^{[1
]}

Mathias, Stephen L. ^{[1
]}

Stathias, Vasileios ^{[2
]}

Dac-Trung Nguyen ^{[3
]}

Schurer, Stephan ^{[2
]}

Oprea, Tudor ^{[1
]}

机构：

[1] Univ New Mexico, Hlth Sci Ctr, Dept Internal Med, Translat Informat Div, Albuquerque, NM 87131 USA

[2] Univ Miami, Miller Sch Med, Ctr Computat Sci, Coral Gables, FL 33146 USA

[3] Natl Ctr Adv Translat Sci, 9800 Med Ctr Dr, Rockville, MD 20850 USA

来源：

NUCLEIC ACIDS RESEARCH | 2019年 / 47卷 / D1期

基金：

美国国家卫生研究院;

关键词：

SAFETY;

D O I：

10.1093/nar/gky963

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

DrugCentral is a drug information resource (http://drugcentral.org) open to the public since 2016 and previously described in the 2017 Nucleic Acids Research Database issue. Since the 2016 release, 103 new approved drugs were updated. The following new data sources have been included: Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS), FDA Orange Book information, L1000 gene perturbation profile distance/similarity matrices and estimated protonation constants. New and existing entries have been updated with the latest information from scientific literature, drug labels and external databases. The web interface has been updated to display and query new data. The full database dump and data files are available for download from the DrugCentral website.

引用

页码：D963 / D970

页数：8

共 21 条

[1] A standard database for drug repositioning [J].

Brown, Adam S. ;

Patel, Chirag J. .

SCIENTIFIC DATA, 2017, 4

[2] UniChem: a unified chemical structure cross-referencing and identifier tracking system [J].

Chambers, Jon ;

Davies, Mark ;

Gaulton, Anna ;

Hersey, Anne ;

Velankar, Sameer ;

Petryszak, Robert ;

Hastings, Janna ;

Bellis, Louisa ;

McGlinchey, Shaun ;

Overington, John P. .

JOURNAL OF CHEMINFORMATICS, 2013, 5

[3] The ChEMBL database in 2017 [J].

Gaulton, Anna ;

Hersey, Anne ;

Nowotka, Michal ;

Bento, A. Patricia ;

Chambers, Jon ;

Mendez, David ;

Mutowo, Prudence ;

Atkinson, Francis ;

Bellis, Louisa J. ;

Cibrian-Uhalte, Elena ;

Davies, Mark ;

Dedman, Nathan ;

Karlsson, Anneli ;

Magarinos, Maria Paula ;

Overington, John P. ;

Papadatos, George ;

Smit, Ines ;

Leach, Andrew R. .

NUCLEIC ACIDS RESEARCH, 2017, 45 (D1) :D945-D954

[4] The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY [J].

Harding, Simon D. ;

Sharman, Joanna L. ;

Faccenda, Elena ;

Southan, Chris ;

Pawson, Adam J. ;

Ireland, Sam ;

Gray, Alasdair J. G. ;

Bruce, Liam ;

Alexander, Stephen P. H. ;

Anderton, Stephen ;

Bryant, Clare ;

Davenport, Anthony P. ;

Doerig, Christian ;

Fabbro, Doriano ;

Levi-Schaffer, Francesca ;

Spedding, Michael ;

Davies, Jamie A. .

NUCLEIC ACIDS RESEARCH, 2018, 46 (D1) :D1091-D1106

[5] ChEBI in 2016: Improved services and an expanding collection of metabolites [J].

Hastings, Janna ;

Owen, Gareth ;

Dekker, Adriano ;

Ennis, Marcus ;

Kale, Namrata ;

Muthukrishnan, Venkatesh ;

Turner, Steve ;

Swainston, Neil ;

Mendes, Pedro ;

Steinbeck, Christoph .

NUCLEIC ACIDS RESEARCH, 2016, 44 (D1) :D1214-D1219

[6] A Likelihood Ratio Test Based Method for Signal Detection With Application to FDA's Drug Safety Data [J].

Huang, Lan ;

Zalkikar, Jyoti ;

Tiwari, Ram C. .

JOURNAL OF THE AMERICAN STATISTICAL ASSOCIATION, 2011, 106 (496) :1230-1241

[7] KEGG: new perspectives on genomes, pathways, diseases and drugs [J].

Kanehisa, Minoru ;

Furumichi, Miho ;

Tanabe, Mao ;

Sato, Yoko ;

Morishima, Kanae .

NUCLEIC ACIDS RESEARCH, 2017, 45 (D1) :D353-D361

[8] PubChem Substance and Compound databases [J].

Kim, Sunghwan ;

Thiessen, Paul A. ;

Bolton, Evan E. ;

Chen, Jie ;

Fu, Gang ;

Gindulyte, Asta ;

Han, Lianyi ;

He, Jane ;

He, Siqian ;

Shoemaker, Benjamin A. ;

Wang, Jiyao ;

Yu, Bo ;

Zhang, Jian ;

Bryant, Stephen H. .

NUCLEIC ACIDS RESEARCH, 2016, 44 (D1) :D1202-D1213

[9] The significance of acid/base properties in drug discovery [J].

Manallack, David T. ;

Prankerd, Richard J. ;

Yuriev, Elizabeth ;

Oprea, Tudor I. ;

Chalmers, David K. .

CHEMICAL SOCIETY REVIEWS, 2013, 42 (02) :485-496

[10] Extending pKa prediction accuracy: High-throughput pKa measurements to understand pKa modulation of new chemical series [J].

Milletti, Francesca ;

Storchi, Loriano ;

Goracci, Laura ;

Bendels, Stefanie ;

Wagner, Bjoern ;

Kansy, Manfred ;

Cruciani, Gabriele .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (09) :4270-4279

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