Dr Antonio de la Vega de León
Lecturer in Chemoinformatics
The following is a selection of recent publications. A full list can be found here.
- Effect of missing data on multitask prediction methods. Journal of Cheminformatics, 10. View this article in WRRO
- Visualization of multi-property landscapes for compound selection and optimization. Journal of Computer-Aided Molecular Design, 29(8), 695-705.
- Prediction of Compound Potency Changes in Matched Molecular Pairs Using Support Vector Regression. Journal of Chemical Information and Modeling, 54(10), 2654-2663.
- Compound Optimization through Data Set-Dependent Chemical Transformations. Journal of Chemical Information and Modeling, 53(6), 1263-1271.
- Design of a Three-Dimensional Multitarget Activity Landscape. Journal of Chemical Information and Modeling, 52(11), 2876-2883.