Winkler, D*

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Vidana EpaPrincipal Research Scientist, CSIROVerified email at csiro.au
Morgan R AlexanderUniversity of NottinghamVerified email at nottingham.ac.uk
Feng WangProfessor of Chemistry, Swinburne University of Technology, AustraliaVerified email at swin.edu.au
Dr Julianne D. HalleyDepartment of Public Health and Primary Care, University of Cambridge, UKVerified email at medschl.cam.ac.uk
Olexandr IsayevAssociate Professor, Carnegie Mellon UniversityVerified email at olexandrisayev.com
Andrew Leslie HookUniversity of NottinghamVerified email at nottingham.ac.uk
Grazziela FigueredoUniversity of NottinghamVerified email at nottingham.ac.uk
Sakshi PiplaniBioinformatics ScientistVerified email at flinders.edu.au
Nikolai PetrovskyProfessor of Medicine, Flinders UniversityVerified email at flinders.edu.au
Benjamin Ward MuirSenior Research ScientistVerified email at csiro.au
Paul PigramLa Trobe University, Melbourne, AustraliaVerified email at latrobe.edu.au
Aaron ThorntonResearch Scientist, CSIROVerified email at csiro.au
Alexander TropshaProfessor at UNC-Chapel HillVerified email at unc.edu
Amir M GhaemmaghamiUniversity of NottinghamVerified email at nottingham.ac.uk
Marek MichalewiczNational Supercomputing Centre, SingaporeVerified email at quantum-pi.com
Robert LangerDavid H. Koch Institute Professor, MITVerified email at mit.edu
Daniel G. AndersonMassachusetts Institute of TechnologyVerified email at mit.edu
Paul WilliamsProfessor of Molecular Microbiology, University of NottinghamVerified email at nottingham.ac.uk
Andrew J. ChristoffersonLecturer, Applied Chemistry & Environmental Science, RMIT UniversityVerified email at rmit.edu.au
David HaylockProfessor, Biomedical Manufacturing, CSIRO AustraliaVerified email at csiro.au

Winkler, D*

CSIRO or Monash or La Trobe or Defence or Nottingham or Pharmacy

Verified email at latrobe.edu.au - Homepage

regenerative medicine drugs/biomaterials/2D materials/porous materials design AI/machine learning cheminformatics complex sy


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Bayesian regularization of neural networks F Burden, D Winkler Artificial neural networks, 23-42, 2008	938*	2008
Beware of R2: simple, unambiguous assessment of the prediction accuracy of QSAR and QSPR models – ISI Highly Cited paper DLJ Alexander, A Tropsha, DA Winkler Journal of chemical information and modeling 55 (7), 1316-1322, 2015	588	2015
Quantitative structure–property relationship modeling of diverse materials properties - ISI Highly Cited paper T Le, VC Epa, FR Burden, DA Winkler Chemical reviews 112 (5), 2889-2919, 2012	479	2012
QSAR without Borders – ISI Highly Cited Paper: ISI Hot Paper EN Muratov, J Bajorath, RP Sheridan, I Tetko, D Filimonov, V Poroikov, ... Chemical Society Reviews 49, 3525, 2020	477	2020
Robust QSAR models using Bayesian regularized neural networks FR Burden, DA Winkler Journal of medicinal chemistry 42 (16), 3183-3187, 1999	280	1999
A renaissance of neural networks in drug discovery II Baskin, D Winkler, IV Tetko Expert opinion on drug discovery 11 (8), 785-795, 2016	225	2016
Consistent concepts of self‐organization and self‐assembly JD Halley, DA Winkler Complexity 14 (2), 10-17, 2008	221	2008
Opening the black box of neural networks: methods for interpreting neural network models in clinical applications. Z Zhang, MW Beck, DA Winkler, B Huang, W Sibanda, H Goyal Ann. Transl. Med. 6 (11), 216, 2018	219	2018
The role of quantitative structure-activity relationships (QSAR) in biomolecular discovery DA Winkler Briefings in bioinformatics 3 (1), 73-86, 2002	200	2002
Modeling biological activities of nanoparticles VC Epa, FR Burden, C Tassa, R Weissleder, S Shaw, DA Winkler Nano letters 12 (11), 5808-5812, 2012	193	2012
Applying quantitative structure–activity relationship approaches to nanotoxicology: current status and future potential DA Winkler, E Mombelli, A Pietroiusti, L Tran, A Worth, B Fadeel, ... Toxicology 313 (1), 15-23, 2013	187	2013
The Materials Genome in Action: Identifying the Performance Limits of Physical Hydrogen Storage AW Thornton, CM Simon, J Kim, O Kwon, KS Deeg, K Konstas, SJ Pas, ... Chemistry of Materials 29 (7), 2844-2854, 2017	185	2017
Design of potential anti-HIV agents. 1. Mannosidase inhibitors DA Winkler, G Holan Journal of medicinal chemistry 32 (9), 2084-2089, 1989	178	1989
Discovery and optimization of materials using evolutionary approaches TC Le, DA Winkler Chemical reviews 116 (10), 6107-6132, 2016	176	2016
Use of automatic relevance determination in QSAR studies using Bayesian neural networks FR Burden, MG Ford, DC Whitley, DA Winkler Journal of Chemical Information and Computer Sciences 40 (6), 1423-1430, 2000	172	2000
Materials for stem cell factories of the future AD Celiz, JGW Smith, R Langer, DG Anderson, DA Winkler, DA Barrett, ... Nature materials 13 (6), 570-579, 2014	170	2014
Understanding the roles of the “two QSARs” T Fujita, DA Winkler Journal of chemical information and modeling 56 (2), 269-274, 2016	152	2016
Computational Modelling and Simulation of CO2 Capture by Aqueous Amines X Yang, Q Yang, G Puxty, R Rees, DA Winkler Chemical Reviews 117 (14), 9524–9593, 2017	150	2017
Classification of emergence and its relation to self‐organization JD Halley, DA Winkler Complexity 13 (5), 10-15, 2008	149	2008
Towards chromate-free corrosion inhibitors: structure–property models for organic alternatives DA Winkler, M Breedon, AE Hughes, FR Burden, AS Barnard, TG Harvey, ... Green Chemistry 16 (6), 3349-3357, 2014	147	2014

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