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G. Papadatos · SciRah

Researcher profile · Semantic Scholar

G. Papadatos

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G. Papadatos — researcher profile on SciRah

h-index: 26
Works: 67
Citations: 7,252

Most-cited papers

The ChEMBL database in 2017
A. Gaulton, A. Hersey, M. Nowotka, A. P. Bento +14 more
2016Nucleic Acids Res.2,198 citations Open access
Semantic Scholar
The ChEMBL bioactivity database: an update
A. P. Bento, A. Gaulton, A. Hersey, Louisa J. Bellis +10 more
2013Nucleic Acids Res.1,432 citations Open access
Semantic Scholar
ChEMBL web services: streamlining access to drug discovery data and utilities
M. Davies, M. Nowotka, G. Papadatos, Nathan Dedman +4 more
2015Nucleic Acids Res.668 citations Open access
Semantic Scholar
Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond
W. Van Voorhis, J. Adams, R. Adelfio, V. Ahyong +183 more
2016PLoS Pathogens364 citations Open access
Semantic Scholar
Unexplored therapeutic opportunities in the human genome
Tudor I. Oprea, C. Bologa, S. Brunak, A. Campbell +37 more
2018Nature reviews. Drug discovery352 citations Open access
Semantic Scholar
Prediction of local recurrence, distant metastases, and death after breast-conserving therapy in early-stage invasive breast cancer using a five-biomarker panel.
E. Millar, P. Graham, S. O'Toole, C. McNeil +12 more
2009Journal of Clinical Oncology329 citations
Semantic Scholar
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
E. B. Lenselink, Niels ten Dijke, B. Bongers, G. Papadatos +4 more
2017bioRxiv298 citations Open access
Semantic Scholar
SureChEMBL: a large-scale, chemically annotated patent document database
G. Papadatos, M. Davies, Nathan Dedman, Jon Chambers +8 more
2015Nucleic Acids Res.212 citations Open access
Semantic Scholar
Activity, assay and target data curation and quality in the ChEMBL database
G. Papadatos, A. Gaulton, A. Hersey, John P. Overington
2015Journal of Computer-Aided Molecular Design150 citations Open access
Semantic Scholar
Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity
G. Papadatos, M. Alkarouri, V. Gillet, P. Willett +9 more
2010Journal of Chemical Information and Modeling122 citations
Semantic Scholar
Evaluation of machine-learning methods for ligand-based virtual screening
Bei-Ning Chen, R. F. Harrison, G. Papadatos, P. Willett +4 more
2007J. Comput. Aided Mol. Des.111 citations
Semantic Scholar
Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles
Alice E. Williamson, Paul M. Ylioja, Murray N Robertson, Yevgeniya Antonova-Koch +49 more
2016ACS Central Science86 citations Open access
Semantic Scholar
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
E. Hau, L. Browne, A. Capp, G. Delaney +6 more
2013Breast Cancer Research and Treatment82 citations
Semantic Scholar
Target Prediction for an Open Access Set of Compounds Active against Mycobacterium tuberculosis
F. Martínez-Jiménez, G. Papadatos, Lun Yang, Iain M. Wallace +6 more
2013PLoS Comput. Biol.62 citations Open access
Semantic Scholar
Unexplored therapeutic opportunities in the human genome
Tudor I. Oprea, C. Bologa, S. Brunak, A. Campbell +37 more
2018Nature reviews. Drug discovery60 citations Open access
Semantic Scholar
Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum
V. Avery, Sridevi Bashyam, J. Burrows, Sandra Duffy +7 more
2014Malaria Journal59 citations Open access
Semantic Scholar
Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound–Kinase Activities: A Way toward Selective Promiscuity by Design?
Serge Christmann-Franck, G. V. van Westen, G. Papadatos, Fanny Beltran Escudie +3 more
2016Journal of Chemical Information and Modeling55 citations Open access
Semantic Scholar
Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation
Grace Mugumbate, Katherine A. Abrahams, Jonathan A. G. Cox, G. Papadatos +8 more
2015PLoS ONE50 citations Open access
Semantic Scholar
The ChEMBL database: a taster for medicinal chemists.
G. Papadatos, John P. Overington
2014Future Medicinal Chemistry49 citations
Semantic Scholar
Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery
María José Rebollo-López, J. Lelièvre, Daniel Álvarez-Gómez, J. Castro-Pichel +20 more
2015PLoS ONE46 citations Open access
Semantic Scholar
In silico applications of bioisosterism in contemporary medicinal chemistry practice
G. Papadatos, N. Brown
201338 citations
Semantic Scholar
Probability of axillary node involvement in patients with tubular carcinoma of the breast
G. Papadatos, Anna Rangan, T. Psarianos, O. Ung +2 more
2002British Journal of Surgery38 citations
Semantic Scholar
Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents
S. Senger, L. Bartek, G. Papadatos, A. Gaulton
2015Journal of Cheminformatics32 citations Open access
Semantic Scholar
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers
Jon Chambers, M. Davies, A. Gaulton, G. Papadatos +2 more
2014Journal of Cheminformatics30 citations Open access
Semantic Scholar
Analysis of Neighborhood Behavior in Lead Optimization and Array Design
G. Papadatos, A. Cooper, V. Kadirkamanathan, S. J. Macdonald +5 more
2009Journal of Chemical Information and Modeling29 citations
Semantic Scholar
Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach
Grace Mugumbate, Vítor Mendes, M. Błaszczyk, M. Sabbah +7 more
2017Frontiers in Pharmacology27 citations Open access
Semantic Scholar
Comparison of Magnetic Resonance Imaging and Computed Tomography for Breast Target Volume Delineation in Prone and Supine Positions.
E. Pogson, G. Delaney, V. Ahern, M. Boxer +16 more
2016International Journal of Radiation Oncology, Biology, Physics26 citations Open access
Semantic Scholar
Waiting times for radiotherapy--a survey of patients' attitudes.
M. Lehman, S. Jacob, G. Delaney, G. Papadatos +6 more
2004Radiotherapy and Oncology25 citations
Semantic Scholar
Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition
A. Verras, C. Waller, Peter Gedeck, D. Green +8 more
2017Journal of Chemical Information and Modeling22 citations
Semantic Scholar
A large-scale crop protection bioassay data set
A. Gaulton, Namrata Kale, G. V. van Westen, Louisa J. Bellis +7 more
2015Scientific Data21 citations Open access
Semantic Scholar
myChEMBL: a virtual machine implementation of open data and cheminformatics tools
R. Ochoa, M. Davies, G. Papadatos, Francis Atkinson +1 more
2013Bioinform.21 citations Open access
Semantic Scholar
Optimal Piecewise Linear Regression Algorithm for QSAR Modelling
Jonathan Cardoso-Silva, G. Papadatos, L. Papageorgiou, S. Tsoka
2018Molecular Informatics20 citations Open access
Semantic Scholar
MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data
M. Davies, M. Nowotka, G. Papadatos, Francis Atkinson +4 more
2014Challenges20 citations Open access
Semantic Scholar
Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources
D. Bousfield, J. Mcentyre, S. Velankar, G. Papadatos +7 more
2016F1000Research17 citations Open access
Semantic Scholar
ADME SARfari: comparative genomics of drug metabolizing systems
M. Davies, Nathan Dedman, A. Hersey, G. Papadatos +6 more
2015Bioinform.16 citations Open access
Semantic Scholar
Women’s choice between sentinel lymph node biopsy and axillary clearance
Steven Gan, C. Magarey, P. Schwartz, G. Papadatos +2 more
2002ANZ journal of surgery16 citations
Semantic Scholar
A document classifier for medicinal chemistry publications trained on the ChEMBL corpus
G. Papadatos, G. V. van Westen, Samuel Croset, Rita Santos +2 more
2014Journal of Cheminformatics13 citations Open access
Semantic Scholar
ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database
N. Fechner, G. Papadatos, David A. Evans, J. Morphy +3 more
2013Bioinform.13 citations Open access
Semantic Scholar
The impact of imaging modality (CT vs MRI) and patient position (supine vs prone) on tangential whole breast radiation therapy planning.
K. Dundas, E. Pogson, V. Batumalai, G. Delaney +14 more
2017Practical Radiation Oncology9 citations
Semantic Scholar
Hypofractionated versus conventionally fractionated radiotherapy for ductal carcinoma in situ (DCIS) of the breast
A. Oar, M. Boxer, G. Papadatos, G. Delaney +5 more
2016Journal of Medical Imaging and Radiation Oncology7 citations
Semantic Scholar
Outcomes of Ethnic Minority Groups with Node-Positive, Non-Metastatic Breast Cancer in Two Tertiary Referral Canters in Sydney, Australia
S. Lim, G. Delaney, J. Descallar, Sayaloune Phan +2 more
2014PLoS ONE7 citations Open access
Semantic Scholar
Want Drugs? Use Python
M. Nowotka, G. Papadatos, M. Davies, Nathan Dedman +1 more
2016arXiv.org5 citations
Semantic Scholar
Estimating a Delineation Uncertainty Margin to Account for Inter-observer Variability in Breast Cancer Radiotherapy
L. Holloway, M. Jameson, V. Batumalai, E. Koh +3 more
20105 citations Open access
Semantic Scholar
ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services
M. Nowotka, M. Davies, G. Papadatos, John P. Overington
20144 citations Open access
Semantic Scholar
The effect of imaging modality (magnetic resonance imaging vs. computed tomography) and patient position (supine vs. prone) on target and organ at risk doses in partial breast irradiation
E. Brown, K. Dundas, Y. Surjan, Daniel Miller +9 more
2020Journal of Medical Radiation Sciences3 citations Open access
Semantic Scholar
Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum
V. Avery, Sridevi Bashyam, J. Burrows, Sandra Duffy +7 more
2014Malaria Journal2 citations Open access
Semantic Scholar
Medical Error - the Perspective of the Clinician and the Director of a Department Involved in an Error.
G. Delaney, G. Papadatos
2017Clinics in oncology1 citations Open access
Semantic Scholar
Open Source Drug Discovery - Highly Potent Antimalarial Compounds Derived from the GlaxoSmithKline Tres Cantos Arylpyrroles
Alice E. Williamson, Paul M. Ylioja, Murray N Robertson, J. Antonova +47 more
20131 citations
Semantic Scholar
SU‐E‐J‐175: Comparison of Prone and Supine MRI Sequences for the Purpose of Radiotherapy Treatment Planning for Breast Cancer
L. Holloway, V. Batumalai, C. Moran, G. Liney +7 more
20131 citations
Semantic Scholar
Mining for Context‐Sensitive Bioisosteric Replacements in Large Chemical Databases
G. Papadatos, M. Bodkin, V. Gillet, P. Willett
20121 citations
Semantic Scholar

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