Wesley Schaal

Publication Activity (10 Years)

Years Active: 2006-2022
Publications (10 Years): 8

Top Topics

Virtual Screening

Top Venues

J. Cheminformatics

J. Chem. Inf. Model.

Publications

Akshai P. Sreenivasan, Philip J. Harrison, Wesley Schaal, Damian J. Matuszewski, Kim Kultima, Ola Spjuth
Predicting protein network topology clusters from chemical structure using deep learning. J. Cheminformatics 14 (1) (2022)
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 Moreno, Andreas Hellander, Payam Emami Khoonsari, Stephanie Herman, Kim Kultima, Samuel Lampa
Approaches for containerized scientific workflows in cloud environments with applications in life science. F1000Research 10 (2021)
Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth
Predicting target profiles with confidence as a service using docking scores. J. Cheminformatics 12 (1) (2020)
Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth
A confidence predictor for logD using conformal regression and a support-vector machine. J. Cheminformatics 10 (1) (2018)
Laeeq Ahmed, Valentin Georgiev, Marco Capuccini, Salman Zubair Toor, Wesley Schaal, Erwin Laure, Ola Spjuth
Efficient iterative virtual screening with Apache Spark and conformal prediction. J. Cheminformatics 10 (1) (2018)
Hiba Alogheli, Gustav Olanders, Wesley Schaal, Peter Brandt, Anders Karlén
Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide. J. Chem. Inf. Model. 57 (2) (2017)
Marco Capuccini, Laeeq Ahmed, Wesley Schaal, Erwin Laure, Ola Spjuth
Large-scale virtual screening on public cloud resources with Apache Spark. J. Cheminformatics 9 (1) (2017)
Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes R. Andersson, Jarl E. S. Wikberg, Ola Spjuth
Large-scale ligand-based predictive modelling using support vector machines. J. Cheminformatics 8 (1) (2016)
Martin Lindh, Fredrik Svensson, Wesley Schaal, Jin Zhang, Christian Sköld, Peter Brandt, Anders Karlén
Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data. J. Chem. Inf. Model. 55 (2) (2015)
Wesley Schaal, Ulf Hammerling, Mats G. Gustafsson, Ola Spjuth
Automated QuantMap for rapid quantitative molecular network topology analysis. Bioinform. 29 (18) (2013)
Shane D. Peterson, Wesley Schaal, Anders Karlén
Improved CoMFA Modeling by Optimization of Settings. J. Chem. Inf. Model. 46 (1) (2006)