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

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	1094*	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	672	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	642	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	544	2012
Robust QSAR models using Bayesian regularized neural networks FR Burden, DA Winkler Journal of medicinal chemistry 42 (16), 3183-3187, 1999	297	1999
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	263	2018
A renaissance of neural networks in drug discovery II Baskin, D Winkler, IV Tetko Expert opinion on drug discovery 11 (8), 785-795, 2016	262	2016
Consistent concepts of self‐organization and self‐assembly JD Halley, DA Winkler Complexity 14 (2), 10-17, 2008	233	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	218	2017
The role of quantitative structure-activity relationships (QSAR) in biomolecular discovery DA Winkler Briefings in bioinformatics 3 (1), 73-86, 2002	206	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	202	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	200	2013
Discovery and optimization of materials using evolutionary approaches TC Le, DA Winkler Chemical reviews 116 (10), 6107-6132, 2016	195	2016
Machine Learning for Electrocatalyst and Photocatalyst Design and Discovery – ISI Highly Cited paper H Mai, TC Le, D Chen, DA Winkler, RA Caruso Chemical Reviews 122 (16), 13478-13515, 2022	193	2022
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	183	2017
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	180	2014
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	180	2000
Design of potential anti-HIV agents. 1. Mannosidase inhibitors DA Winkler, G Holan Journal of medicinal chemistry 32 (9), 2084-2089, 1989	177	1989
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	170	2014
A critical overview of computational approaches employed for COVID-19 drug discovery – ISI Highly Cited paper E Muratov, N Brown, D Fourches, D Kozakov, JL Medina-Franco, K Merz, ... Chemical Society Reviews 50 (21 August), 9121-9151, 2021	168	2021

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