Wesley Schaal

According to our database, Wesley Schaal authored at least 11 papers between 2006 and 2022.

Collaborative distances:

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

2022

Predicting protein network topology clusters from chemical structure using deep learning.

Akshai P. Sreenivasan, Philip J. Harrison, Wesley Schaal, Damian J. Matuszewski, Kim Kultima, Ola Spjuth

J. Cheminformatics, 2022

2021

Approaches for containerized scientific workflows in cloud environments with applications in life science.

Ola Spjuth, Marco Capuccini, Matteo Carone, Anders Larsson, Wesley Schaal, Jon Ander Novella, Oliver Stein, Morgan Ekmefjord, Paolo Di Tommaso, Evan W. Floden, Cédric Notredame, Pablo A. Moreno, Andreas Hellander, Payam Emami Khoonsari, Stephanie Herman, Kim Kultima, Samuel Lampa

F1000Research, 2021

2020

Predicting target profiles with confidence as a service using docking scores.

Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth

J. Cheminformatics, 2020

2018

A confidence predictor for logD using conformal regression and a support-vector machine.

Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth

J. Cheminformatics, 2018

Efficient iterative virtual screening with Apache Spark and conformal prediction.

Laeeq Ahmed, Valentin Georgiev, Marco Capuccini, Salman Zubair Toor, Wesley Schaal, Erwin Laure, Ola Spjuth

J. Cheminformatics, 2018

2017

Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide.

Hiba Alogheli, Gustav Olanders, Wesley Schaal, Peter Brandt, Anders Karlén

J. Chem. Inf. Model., 2017

Large-scale virtual screening on public cloud resources with Apache Spark.

Marco Capuccini, Laeeq Ahmed, Wesley Schaal, Erwin Laure, Ola Spjuth

J. Cheminformatics, 2017

2016

Large-scale ligand-based predictive modelling using support vector machines.

Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes R. Andersson, Jarl E. S. Wikberg, Ola Spjuth

J. Cheminformatics, 2016

2015

Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data.

Martin Lindh, Fredrik Svensson, Wesley Schaal, Jin Zhang, Christian Sköld, Peter Brandt, Anders Karlén

J. Chem. Inf. Model., 2015

2013

Automated QuantMap for rapid quantitative molecular network topology analysis.

Wesley Schaal, Ulf Hammerling, Mats G. Gustafsson, Ola Spjuth

Bioinform., 2013

2006

Improved CoMFA Modeling by Optimization of Settings.

Shane D. Peterson, Wesley Schaal, Anders Karlén

J. Chem. Inf. Model., 2006