David A. Winkler

33 papers Journal 31Unranked 1

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	DF-ACBlurGAN: Structure-Aware Conditional Generation of Internally Repeated Patterns for Biomaterial Microtopography Design. CoRR Rongjun Dong, Xin Chen, Morgan R. Alexander, Karthikeyan Sivakumar, Reza Omdivar, David A. Winkler, Grazziela Patrocinio Figueredo
2025	J	`jnl`	Helix 1.0: An Open-Source Framework for Reproducible and Interpretable Machine Learning on Tabular Scientific Data. CoRR Eduardo Aguilar-Bejarano, Daniel Lea, Karthikeyan Sivakumar, Jimiama Mafeni Mase, Reza Omidvar, Ruizhe Li, Troy Kettle, James Mitchell-White, Morgan R. Alexander, David A. Winkler, Grazziela Patrocinio Figueredo
2022	—	`conf`	EFI: A Toolbox for Feature Importance Fusion and Interpretation in Python. LOD (2) Aayush Kumar, Jimiama Mafeni Mase, Divish Rengasamy, Benjamin Rothwell, Mercedes Torres Torres, David A. Winkler, Grazziela P. Figueredo
2022	J	`jnl`	EFI: A Toolbox for Feature Importance Fusion and Interpretation in Python. CoRR Aayush Kumar, Jimiama Mafeni Mase, Divish Rengasamy, Benjamin Rothwell, Mercedes Torres Torres, David A. Winkler, Grazziela P. Figueredo
2022	J	`jnl`	European Registry of Materials: global, unique identifiers for (undisclosed) nanomaterials. J. Cheminformatics Jeaphianne P. M. van Rijn, Antreas Afantitis, Mustafa Culha, Maria Dusinska, Thomas E. Exner, Nina Jeliazkova, Eleonora Marta Longhin, Iseult Lynch, Georgia Melagraki, Penny Nymark, Anastasios G. Papadiamantis, David A. Winkler, Hulya Yilmaz, Egon L. Willighagen
2022	J	`jnl`	Feature importance in machine learning models: A fuzzy information fusion approach. Neurocomputing Divish Rengasamy, Jimiama Mafeni Mase, Aayush Kumar, Benjamin Rothwell, Mercedes Torres Torres, Morgan R. Alexander, David A. Winkler, Grazziela P. Figueredo
2022	J	`jnl`	Potent antimalarial drugs with validated activities. Nat. Mach. Intell. David A. Winkler
2021	J	`jnl`	Active Learning in Bayesian Neural Networks for Bandgap Predictions of Novel Van der Waals Heterostructures. Adv. Intell. Syst. Marco Fronzi, Olexandr Isayev, David A. Winkler, Joseph George Shapter, Amanda V. Ellis, Peter C. Sherrell, Nick A. Shepelin, Alexander Corletto, Michael J. Ford
2021	J	`jnl`	Mechanistic Interpretation of Machine Learning Inference: A Fuzzy Feature Importance Fusion Approach. CoRR Divish Rengasamy, Jimiama Mafeni Mase, Mercedes Torres Torres, Benjamin Rothwell, David A. Winkler, Grazziela P. Figueredo
2021	J	`jnl`	Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations. J. Chem. Inf. Model. Sachini P. Kadaoluwa Pathirannahalage, Nastaran Meftahi, Aaron Elbourne, Alessia C. G. Weiss, Chris F. McConville, Agilio Padua, David A. Winkler, Margarida Costa Gomes, Tamar L. Greaves, Tu C. Le, Quinn A. Besford, Andrew J. Christofferson
2020	J	`jnl`	Ligand Entropy Is Hard but Should Not Be Ignored. J. Chem. Inf. Model. David A. Winkler
2019	J	`jnl`	Evolving embodied intelligence from materials to machines. CoRR David Howard, Ágoston E. Eiben, Danielle Frances Kennedy, Jean-Baptiste Mouret, Philip Valencia, David A. Winkler
2019	J	`jnl`	Evolving embodied intelligence from materials to machines. Nat. Mach. Intell. David Howard, Ágoston E. Eiben, Danielle Frances Kennedy, Jean-Baptiste Mouret, Philip Valencia, David A. Winkler
2019	J	`jnl`	Impressive computational acceleration by using machine learning for 2-dimensional super-lubricant materials discovery. CoRR Marco Fronzi, Mutaz Abu Ghazaleh, Olexandr Isayev, David A. Winkler, Joe Shapter, Michael J. Ford
2019	J	`jnl`	Massive in Silico Study of Noble Gas Binding to the Structural Proteome. J. Chem. Inf. Model. David A. Winkler, Andrew C. Warden, Thierry Prangé, N. Colloc'h, A. W. Thornton, J.-F. Ramirez-Gil, G. Farjot, I. Katz
2019	J	`jnl`	Toward Interpretable Machine Learning Models for Materials Discovery. Adv. Intell. Syst. Paulius Mikulskis, Morgan R. Alexander, David A. Winkler
2018	J	`jnl`	Sparse QSAR modelling methods for therapeutic and regenerative medicine. J. Comput. Aided Mol. Des. David A. Winkler
2016	J	`jnl`	Understanding the Roles of the "Two QSARs". J. Chem. Inf. Model. Toshio Fujita, David A. Winkler
2015	J	`jnl`	Beware of J. Chem. Inf. Model. David L. J. Alexander, Alexander Tropsha, David A. Winkler
2015	J	`jnl`	Relevance Vector Machines: Sparse Classification Methods for QSAR. J. Chem. Inf. Model. Frank R. Burden, David A. Winkler
2013	J	`jnl`	Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds. J. Chem. Inf. Model. Maryam Salahinejad, Tu C. Le, David A. Winkler
2013	J	`jnl`	Correction to Capturing the Crystal: Prediction of Enthalpy of Sublimation, Crystal Lattice Energy, and Melting Points of Organic Compounds. J. Chem. Inf. Model. Maryam Salahinejad, Tu C. Le, David A. Winkler
2009	—	`ch.`	Bayesian Regularization of Neural Networks. Artificial Neural Networks Frank R. Burden, David A. Winkler
2009	J	`jnl`	Predictive Mesoscale Network Model of Cell Fate Decisions during Artif. Life David A. Winkler, Frank R. Burden, Julianne D. Halley
2009	J	`jnl`	Toward Novel Universal Descriptors: Charge Fingerprints. J. Chem. Inf. Model. Frank R. Burden, Mitchell J. Polley, David A. Winkler
2008	J	`jnl`	Classification of emergence and its relation to self-organization. Complex. Julianne D. Halley, David A. Winkler
2008	J	`jnl`	Consistent concepts of self-organization and self-assembly. Complex. Julianne D. Halley, David A. Winkler
2008	J	`jnl`	Critical-like self-organization and natural selection: Two facets of a single evolutionary process? Biosyst. Julianne D. Halley, David A. Winkler
2003	J	`jnl`	Comparison of Linear and Nonlinear Classification Algorithms for the Prediction of Drug and Chemical Metabolism by Human UDP-Glucuronosyltransferase Isoforms. J. Chem. Inf. Comput. Sci. Michael J. Sorich, John O. Miners, Ross A. McKinnon, David A. Winkler, Frank R. Burden, Paul A. Smith
2002	J	`jnl`	The role of quantitative structure-activity relationships (QSAR) in biomolecular discovery. Briefings Bioinform. David A. Winkler
2001	J	`jnl`	A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene. J. Comput. Chem. Feng Wang, H. Mackenzie-Ross, David A. Winkler, Ian E. McCarthy, Laurence Campbell, Michael J. Brunger
2000	J	`jnl`	Use of Automatic Relevance Determination in QSAR Studies Using Bayesian Neural Networks. J. Chem. Inf. Comput. Sci. Frank R. Burden, Martyn G. Ford, David C. Whitley, David A. Winkler
1999	J	`jnl`	New QSAR Methods Applied to Structure-Activity Mapping and Combinatorial Chemistry. J. Chem. Inf. Comput. Sci. Frank R. Burden, David A. Winkler