Winkler, D*

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Morgan R AlexanderUniversity of NottinghamVerified email at nottingham.ac.uk
Vidana EpaPrincipal Research Scientist, CSIROVerified email at csiro.au
Feng WangProfessor of Chemistry, Swinburne University of Technology, AustraliaVerified email at swin.edu.au
Andrew Leslie HookUniversity of NottinghamVerified email at nottingham.ac.uk
Olexandr IsayevAssociate Professor, Carnegie Mellon UniversityVerified email at olexandrisayev.com
Grazziela FigueredoAssociate Professor, University of NottinghamVerified email at nottingham.ac.uk
Dr Julianne D. HalleyDepartment of Public Health and Primary Care, University of Cambridge, UKVerified email at medschl.cam.ac.uk
Benjamin Ward MuirSenior Research ScientistVerified email at csiro.au
Paul PigramLa Trobe University, Melbourne, AustraliaVerified email at latrobe.edu.au
Sakshi PiplaniBioinformatics ScientistVerified email at flinders.edu.au
Nikolai PetrovskyProfessor, Australian Respiratory and Sleep Medicine Research InstituteVerified email at flinders.edu.au
Aaron ThorntonPrincipal Research Scientist, CSIROVerified email at csiro.au
Amir M GhaemmaghamiUniversity of NottinghamVerified email at nottingham.ac.uk
Paul WilliamsProfessor of Molecular Microbiology, University of NottinghamVerified email at nottingham.ac.uk
Alexander TropshaProfessor at UNC-Chapel HillVerified email at unc.edu
Daniel G. AndersonMassachusetts Institute of TechnologyVerified email at mit.edu
Andrew J. ChristoffersonRMIT UniversityVerified email at rmit.edu.au
Marek MichalewiczNational Supercomputing Centre, SingaporeVerified email at quantum-pi.com
Robert LangerDavid H. Koch Institute Professor, MITVerified email at mit.edu
Jan de BoerEindhoven University of TechnologyVerified email at tue.nl

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	1069*	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	655	2015
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	590	2020
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	529	2012
Robust QSAR models using Bayesian regularized neural networks FR Burden, DA Winkler Journal of medicinal chemistry 42 (16), 3183-3187, 1999	290	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	254	2016
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	244	2018
Consistent concepts of self‐organization and self‐assembly JD Halley, DA Winkler Complexity 14 (2), 10-17, 2008	229	2008
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	211	2017
The role of quantitative structure-activity relationships (QSAR) in biomolecular discovery DA Winkler Briefings in bioinformatics 3 (1), 73-86, 2002	208	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	197	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	196	2013
Discovery and optimization of materials using evolutionary approaches TC Le, DA Winkler Chemical reviews 116 (10), 6107-6132, 2016	190	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	182	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	177	2014
Design of potential anti-HIV agents. 1. Mannosidase inhibitors DA Winkler, G Holan Journal of medicinal chemistry 32 (9), 2084-2089, 1989	176	1989
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	168	2017
Understanding the roles of the “two QSARs” T Fujita, DA Winkler Journal of chemical information and modeling 56 (2), 269-274, 2016	163	2016
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	161	2014
Validating Eaton's hypothesis: Cubane as a benzene bioisostere BA Chalmers, H Xing, S Houston, C Clark, S Ghassabian, A Kuo, B Cao, ... Angewandte Chemie International Edition 55 (11), 3580-3585, 2016	159*	2016

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