George Papadatos

George Papadatos

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George Papadatos

George Papadatos

Publications by authors named "George Papadatos"

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38Publications

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Optimal Piecewise Linear Regression Algorithm for QSAR Modelling.

Mol Inform 2019 03 24;38(3):e1800028. Epub 2018 Sep 24.

Department of Informatics, Faculty of Natural and Mathematical Sciences, King's College London, Bush House, London, WC2B 4BG, UK.

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http://dx.doi.org/10.1002/minf.201800028DOI Listing
March 2019

The impact of imaging modality (CT vs MRI) and patient position (supine vs prone) on tangential whole breast radiation therapy planning.

Pract Radiat Oncol 2018 May - Jun;8(3):e87-e97. Epub 2017 Jul 14.

Centre for Medical Radiation Physics, Faculty of Engineering and Information Sciences, University of Wollongong, Wollongong, NSW, Australia; Liverpool and Macarthur Cancer Therapy Centres, Liverpool, NSW, Australia; Ingham Institute for Applied Medical Research, Liverpool Hospital, Sydney, NSW, Australia; South Western Sydney Clinical School, University of New South Wales, Sydney, NSW, Australia.

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http://dx.doi.org/10.1016/j.prro.2017.07.007DOI Listing
September 2018

Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.

J Cheminform 2017 Aug 14;9(1):45. Epub 2017 Aug 14.

Division of Medicinal Chemistry, Drug Discovery and Safety, Leiden Academic Centre for Drug Research, Leiden University, P.O. Box 9502, 2300 RA, Leiden, The Netherlands.

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http://dx.doi.org/10.1186/s13321-017-0232-0DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5555960PMC
August 2017

The ChEMBL database in 2017.

Nucleic Acids Res 2017 01 28;45(D1):D945-D954. Epub 2016 Nov 28.

European Molecular Biology Laboratory, European Bioinformatics Institute, Wellcome Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK

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http://dx.doi.org/10.1093/nar/gkw1074DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC5210557PMC
January 2017

Comparison of Magnetic Resonance Imaging and Computed Tomography for Breast Target Volume Delineation in Prone and Supine Positions.

Int J Radiat Oncol Biol Phys 2016 11 11;96(4):905-912. Epub 2016 Aug 11.

Centre for Medical Radiation Physics, Faculty of Engineering and Information Sciences, University of Wollongong, Wollongong, Australia; Liverpool and Macarthur Cancer Therapy Centres, Liverpool, Australia; Ingham Institute for Applied Medical Research, Liverpool, Australia; South Western Sydney Clinical School, University of New South Wales, Sydney, Australia. Electronic address:

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http://dx.doi.org/10.1016/j.ijrobp.2016.08.002DOI Listing
November 2016

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond.

Authors:
Wesley C Van Voorhis John H Adams Roberto Adelfio Vida Ahyong Myles H Akabas Pietro Alano Aintzane Alday Yesmalie Alemán Resto Aishah Alsibaee Ainhoa Alzualde Katherine T Andrews Simon V Avery Vicky M Avery Lawrence Ayong Mark Baker Stephen Baker Choukri Ben Mamoun Sangeeta Bhatia Quentin Bickle Lotfi Bounaadja Tana Bowling Jürgen Bosch Lauren E Boucher Fabrice F Boyom Jose Brea Marian Brennan Audrey Burton Conor R Caffrey Grazia Camarda Manuela Carrasquilla Dee Carter Maria Belen Cassera Ken Chih-Chien Cheng Worathad Chindaudomsate Anthony Chubb Beatrice L Colon Daisy D Colón-López Yolanda Corbett Gregory J Crowther Noemi Cowan Sarah D'Alessandro Na Le Dang Michael Delves Joseph L DeRisi Alan Y Du Sandra Duffy Shimaa Abd El-Salam El-Sayed Michael T Ferdig José A Fernández Robledo David A Fidock Isabelle Florent Patrick V T Fokou Ani Galstian Francisco Javier Gamo Suzanne Gokool Ben Gold Todd Golub Gregory M Goldgof Rajarshi Guha W Armand Guiguemde Nil Gural R Kiplin Guy Michael A E Hansen Kirsten K Hanson Andrew Hemphill Rob Hooft van Huijsduijnen Takaaki Horii Paul Horrocks Tyler B Hughes Christopher Huston Ikuo Igarashi Katrin Ingram-Sieber Maurice A Itoe Ajit Jadhav Amornrat Naranuntarat Jensen Laran T Jensen Rays H Y Jiang Annette Kaiser Jennifer Keiser Thomas Ketas Sebastien Kicka Sunyoung Kim Kiaran Kirk Vidya P Kumar Dennis E Kyle Maria Jose Lafuente Scott Landfear Nathan Lee Sukjun Lee Adele M Lehane Fengwu Li David Little Liqiong Liu Manuel Llinás Maria I Loza Aristea Lubar Leonardo Lucantoni Isabelle Lucet Louis Maes Dalu Mancama Nuha R Mansour Sandra March Sheena McGowan Iset Medina Vera Stephan Meister Luke Mercer Jordi Mestres Alvine N Mfopa Raj N Misra Seunghyun Moon John P Moore Francielly Morais Rodrigues da Costa Joachim Müller Arantza Muriana Stephen Nakazawa Hewitt Bakela Nare Carl Nathan Nathalie Narraidoo Sujeevi Nawaratna Kayode K Ojo Diana Ortiz Gordana Panic George Papadatos Silvia Parapini Kailash Patra Ngoc Pham Sarah Prats David M Plouffe Sally-Ann Poulsen Anupam Pradhan Celia Quevedo Ronald J Quinn Christopher A Rice Mohamed Abdo Rizk Andrea Ruecker Robert St Onge Rafaela Salgado Ferreira Jasmeet Samra Natalie G Robinett Ulrich Schlecht Marjorie Schmitt Filipe Silva Villela Francesco Silvestrini Robert Sinden Dennis A Smith Thierry Soldati Andreas Spitzmüller Serge Maximilian Stamm David J Sullivan William Sullivan Sundari Suresh Brian M Suzuki Yo Suzuki S Joshua Swamidass Donatella Taramelli Lauve R Y Tchokouaha Anjo Theron David Thomas Kathryn F Tonissen Simon Townson Abhai K Tripathi Valentin Trofimov Kenneth O Udenze Imran Ullah Cindy Vallieres Edgar Vigil Joseph M Vinetz Phat Voong Vinh Hoan Vu Nao-Aki Watanabe Kate Weatherby Pamela M White Andrew F Wilks Elizabeth A Winzeler Edward Wojcik Melanie Wree Wesley Wu Naoaki Yokoyama Paul H A Zollo Nada Abla Benjamin Blasco Jeremy Burrows Benoît Laleu Didier Leroy Thomas Spangenberg Timothy Wells Paul A Willis

PLoS Pathog 2016 07 28;12(7):e1005763. Epub 2016 Jul 28.

Medicines for Malaria Venture, Geneva, Switzerland.

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http://dx.doi.org/10.1371/journal.ppat.1005763DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4965013PMC
July 2016

Hypofractionated versus conventionally fractionated radiotherapy for ductal carcinoma in situ (DCIS) of the breast.

J Med Imaging Radiat Oncol 2016 Jun 5;60(3):407-13. Epub 2016 Jan 5.

Liverpool Cancer Therapy Centre, Liverpool Hospital, Liverpool, NSW, Australia.

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http://dx.doi.org/10.1111/1754-9485.12428DOI Listing
June 2016

SureChEMBL: a large-scale, chemically annotated patent document database.

Nucleic Acids Res 2016 Jan 17;44(D1):D1220-8. Epub 2015 Nov 17.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK

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http://dx.doi.org/10.1093/nar/gkv1253DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4702887PMC
January 2016

A large-scale crop protection bioassay data set.

Sci Data 2015 7;2:150032. Epub 2015 Jul 7.

European Molecular Biology Laboratory -European Bioinformatics Institute, Wellcome Trust Genome Campus , Hinxton, Cambridgeshire CB10 1SD, UK.

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http://dx.doi.org/10.1038/sdata.2015.32DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4493826PMC
December 2015

Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents.

J Cheminform 2015 Dec 6;7(1):49. Epub 2015 Oct 6.

European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD UK.

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http://dx.doi.org/10.1186/s13321-015-0097-zDOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4594083PMC
December 2015

Activity, assay and target data curation and quality in the ChEMBL database.

J Comput Aided Mol Des 2015 Sep 23;29(9):885-96. Epub 2015 Jul 23.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridgeshire, CB10 1SD, UK.

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http://dx.doi.org/10.1007/s10822-015-9860-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4607714PMC
September 2015

ChEMBL web services: streamlining access to drug discovery data and utilities.

Nucleic Acids Res 2015 Jul 16;43(W1):W612-20. Epub 2015 Apr 16.

European Molecular Biology Laboratory - European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK

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http://dx.doi.org/10.1093/nar/gkv352DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4489243PMC
July 2015

Outcomes of ethnic minority groups with node-positive, non-metastatic breast cancer in two tertiary referral centers in Sydney, Australia.

PLoS One 2014 21;9(4):e95852. Epub 2014 Apr 21.

Department of Medical Oncology, Liverpool and Campbelltown Hospitals, New South Wales, Australia; Ingham Institute for Applied Medical Research, New South Wales, Australia; School of Medicine, University of New South Wales, New South Wales, Australia; Cancer Services, South Western Sydney Local Health District, New South Wales, Australia; School of Medicine, Molecular Medicine Research Group, University of Western Sydney, New South Wales, Australia.

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http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0095852PLOS
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994117PMC
June 2015

ADME SARfari: comparative genomics of drug metabolizing systems.

Bioinformatics 2015 May 8;31(10):1695-7. Epub 2015 Jan 8.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, GlaxoSmithKline R&D, Gunnels Wood Road, Stevenage SG1 2NY and Pfizer Ltd., Granta Park, Great Abington, Cambridge CB21 6GP, UK.

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http://dx.doi.org/10.1093/bioinformatics/btv010DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4426839PMC
May 2015

A document classifier for medicinal chemistry publications trained on the ChEMBL corpus.

J Cheminform 2014 Dec 12;6(1):40. Epub 2014 Aug 12.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), European Molecular Biology Laboratory, Wellcome Trust Genome Campus, Hinxton, Cambridge, CB10 1SD UK.

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http://dx.doi.org/10.1186/s13321-014-0040-8DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158272PMC
December 2014

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers.

J Cheminform 2014 Dec 4;6(1):43. Epub 2014 Sep 4.

ChEMBL, European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton Cambridge, CB10 1SD UK.

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http://dx.doi.org/10.1186/s13321-014-0043-5DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158273PMC
December 2014

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis.

PLoS Comput Biol 2013 3;9(10):e1003253. Epub 2013 Oct 3.

Genome Biology Group, Centre Nacional d'Anàlisi Genòmica (CNAG), Barcelona, Spain ; Gene Regulation Stem Cells and Cancer Program, Centre for Genomic Regulation (CRG), Barcelona, Spain.

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http://dx.doi.org/10.1371/journal.pcbi.1003253DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3789770PMC
May 2014

The ChEMBL database: a taster for medicinal chemists.

Future Med Chem 2014 Mar;6(4):361-4

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Cambridge, Hinxton, CB10 1SD, UK.

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http://dx.doi.org/10.4155/fmc.14.8DOI Listing
March 2014

The ChEMBL bioactivity database: an update.

Nucleic Acids Res 2014 Jan 7;42(Database issue):D1083-90. Epub 2013 Nov 7.

European Molecular Biology Laboratory European Bioinformatics Institute, Wellcome Trust Genome Campus, Hinxton, Cambridgeshire CB10 1SD, UK.

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https://nar.oxfordjournals.org/content/early/2013/11/07/nar.
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http://nar.oxfordjournals.org/lookup/doi/10.1093/nar/gkt1031
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http://dx.doi.org/10.1093/nar/gkt1031DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3965067PMC
January 2014

myChEMBL: a virtual machine implementation of open data and cheminformatics tools.

Bioinformatics 2014 Jan 20;30(2):298-300. Epub 2013 Nov 20.

European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton CB10 1SD, UK.

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https://academic.oup.com/bioinformatics/article-lookup/doi/1
Publisher Site
http://dx.doi.org/10.1093/bioinformatics/btt666DOI Listing
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3892694PMC
January 2014

The impact of breast cosmetic and functional outcomes on quality of life: long-term results from the St. George and Wollongong randomized breast boost trial.

Breast Cancer Res Treat 2013 May 12;139(1):115-23. Epub 2013 Apr 12.

Department of Radiation Oncology, Cancer Care Centre, St. George Hospital, Gray Street, Kogarah, Sydney, NSW, 2217, Australia.

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http://dx.doi.org/10.1007/s10549-013-2508-zDOI Listing
May 2013

ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database.

Bioinformatics 2013 Feb 20;29(4):523-4. Epub 2012 Dec 20.

Department of Medicinal Chemistry, Lilly Research Laboratories, Eli Lilly and Company, Erl Wood Manor, Surrey GU20 6PH, UK.

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https://academic.oup.com/bioinformatics/article-lookup/doi/1
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http://dx.doi.org/10.1093/bioinformatics/bts711DOI Listing
February 2013

Analysis of neighborhood behavior in lead optimization and array design.

J Chem Inf Model 2009 Feb;49(2):195-208

Krebs Institute for Biomolecular Research and Department of Information Studies, University of Sheffield, 211 Portobello Street, Sheffield S1 4DP, United Kingdom.

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http://dx.doi.org/10.1021/ci800302gDOI Listing
February 2009

Evaluation of machine-learning methods for ligand-based virtual screening.

J Comput Aided Mol Des 2007 Jan-Mar;21(1-3):53-62. Epub 2007 Jan 5.

Department of Chemistry, University of Sheffield, Western Bank, Sheffield, UK.

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http://dx.doi.org/10.1007/s10822-006-9096-5DOI Listing
May 2007

Waiting times for radiotherapy--a survey of patients' attitudes.

Radiother Oncol 2004 Mar;70(3):283-9

Department of Radiation Oncology, Princess Alexandra Hospital, Brisbane, Queensland, Australia.

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http://dx.doi.org/10.1016/j.radonc.2004.01.012DOI Listing
March 2004

Women's choice between sentinel lymph node biopsy and axillary clearance.

ANZ J Surg 2002 Feb;72(2):110-3

St George Hospital, Kogarah, New South Wales, Australia.

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http://dx.doi.org/10.1046/j.1445-2197.2002.02309.xDOI Listing
February 2002