Winkler, David A.

QSAR without borders

Muratov, E. N., Bajorath, J., Sheridan, R. P., Tetko, I. V., Filimonov, D., Poroikov, V., Oprea, T. I., Baskin, I. I., Varnek, A., Roitberg, A., et al. (2020) · Chemical Society Reviews

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 913

A renaissance of neural networks in drug discovery

Baskin, I. I., Winkler, D., & Tetko, I. V. (2016) · Expert Opinion on Drug Discovery

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 235

A critical overview of computational approaches employed for COVID-19 drug discovery

Muratov, E. N., Amaro, R., Andrade, C. H., Brown, N., Ekins, S., Fourches, D., Isayev, O., Kozakov, D., Medina-Franco, J. L., Merz, K. M., et al. (2021) · Chemical Society Reviews

Computational Drug Discovery MethodsSARS-CoV-2 and COVID-19 Research

Cited by 206

Discovery and Optimization of Materials Using Evolutionary Approaches

Le, T. C., & Winkler, D. A. (2016) · Chemical Reviews

Machine Learning in Materials ScienceEvolutionary Algorithms and Applications

Cited by 204

Modelling human embryoid body cell adhesion to a combinatorial library of polymer surfaces

Epa, V. C., Yang, J., Mei, Y., Hook, A. L., Langer, R., Anderson, D. G., Davies, M. C., Alexander, M. R., & Winkler, D. A. (2012) · Journal of Materials Chemistry

Machine Learning in Materials SciencePolymer Surface Interaction Studies

Cited by 55

Relevance Vector Machines: Sparse Classification Methods for QSAR

Burden, F. R., & Winkler, D. A. (2015) · Journal of Chemical Information and Modeling

Computational Drug Discovery MethodsMachine Learning in Materials Science

Cited by 51

Toward Interpretable Machine Learning Models for Materials Discovery

Mikulskis, P., Alexander, M. R., & Winkler, D. A. (2019) · Advanced Intelligent Systems

Machine Learning in Materials ScienceComputational Drug Discovery Methods

Cited by 43

Use of metamodels for rapid discovery of narrow bandgap oxide photocatalysts

Mai, H., Le, T. C., Hisatomi, T., Chen, D., Domen, K., Winkler, D. A., & Caruso, R. A. (2021) · iScience

Machine Learning in Materials ScienceAdvanced Photocatalysis Techniques

Cited by 32

Distinguishing Chemically Similar Polyamide Materials with ToF-SIMS Using Self-Organizing Maps and a Universal Data Matrix

Madiona, R. M. T., Bamford, S. E., Winkler, D. A., Muir, B. W., & Pigram, P. J. (2018) · Analytical Chemistry

Ion-surface interactions and analysisMass Spectrometry Techniques and Applications

Cited by 25

Sparse feature selection identifies H2A.Z as a novel, pattern-specific biomarker for asymmetrically self-renewing distributed stem cells

Huh, Y. H., Noh, M., Burden, F. R., Chen, J. C., Winkler, D. A., & Sherley, J. L. (2015) · Stem Cell Research

Hematopoietic Stem Cell TransplantationGene expression and cancer classification

Cited by 20