Antonio de la Vega de León

According to our database, Antonio de la Vega de León authored at least 11 papers between 2012 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction.

Moritz Walter, Luke N. Allen, Antonio de la Vega de León, Samuel J. Webb, Valerie J. Gillet

J. Cheminformatics, 2022

2020

Integrating FATE/critical data studies into data science curricula: where are we going and how do we get there?

Jo Bates, David Cameron, Alessandro Checco, Paul D. Clough, Frank Hopfgartner, Suvodeep Mazumdar, Laura Sbaffi, Peter Stordy, Antonio de la Vega de León

Proceedings of the FAT* '20: Conference on Fairness, 2020

2018

Effect of missing data on multitask prediction methods.

Antonio de la Vega de León, Beining Chen, Valerie J. Gillet

J. Cheminformatics, 2018

2016

Methods for the Analysis of Matched Molecular Pairs and Chemical Space Representations

Antonio de la Vega de León

PhD thesis, 2016

Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression.

Dragos Horvath, Gilles Marcou, Alexandre Varnek, Shilva Kayastha, Antonio de la Vega de León, Jürgen Bajorath

J. Chem. Inf. Model., 2016

Predicting bioactive conformations and binding modes of macrocycles.

Andrew Anighoro, Antonio de la Vega de León, Jürgen Bajorath

J. Comput. Aided Mol. Des., 2016

Design of chemical space networks incorporating compound distance relationships.

Antonio de la Vega de León, Jürgen Bajorath

F1000Research, 2016

2015

Visualization of multi-property landscapes for compound selection and optimization.

Antonio de la Vega de León, Shilva Kayastha, Dilyana Dimova, Thomas Schultz, Jürgen Bajorath

J. Comput. Aided Mol. Des., 2015

2014

Prediction of Compound Potency Changes in Matched Molecular Pairs Using Support Vector Regression.

Antonio de la Vega de León, Jürgen Bajorath

J. Chem. Inf. Model., 2014

2013

Compound Optimization through Data Set-Dependent Chemical Transformations.

Antonio de la Vega de León, Jürgen Bajorath

J. Chem. Inf. Model., 2013

2012

Design of a Three-Dimensional Multitarget Activity Landscape.

Antonio de la Vega de León, Jürgen Bajorath

J. Chem. Inf. Model., 2012