Willem P. van Hoorn

Publication Activity (10 Years)

Years Active: 2007-2023
Publications (10 Years): 2

Top Topics

Mass Spectrometry

Reinforcement Learning

Previously Computed

Top Venues

Nat. Mac. Intell.

J. Chem. Inf. Model.

Publications

Maranga Mokaya, Fergus Imrie, Willem P. van Hoorn, Aleksandra Kalisz, Anthony R. Bradley, Charlotte M. Deane
Testing the limits of SMILES-based de novo molecular generation with curriculum and deep reinforcement learning. Nat. Mac. Intell. 5 (4) (2023)
Daniel J. Woodward, Anthony R. Bradley, Willem P. van Hoorn
Coverage Score: A Model Agnostic Method to Efficiently Explore Chemical Space. J. Chem. Inf. Model. 62 (18) (2022)
Wan F. Lau, Jane M. Withka, David Hepworth, Thomas V. Magee, Yuhua J. Du, Gregory A. Bakken, Michael D. Miller, Zachary S. Hendsch, Venkataraman Thanabal, Steve A. Kolodziej, Li Xing, Qiyue Hu, Lakshmi S. Narasimhan, Robert Love, Maura E. Charlton, Samantha Hughes, Willem P. van Hoorn, James E. J. Mills
Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics. J. Comput. Aided Mol. Des. 25 (7) (2011)
Sarah R. Langdon, Joanna Mulgrew, Gaia Valeria Paolini, Willem P. van Hoorn
Predicting cytotoxicity from heterogeneous data sources with Bayesian learning. J. Cheminformatics 2 (2010)
Willem P. van Hoorn, Andrew Bell
Searching Chemical Space with the Bayesian Idea Generator. J. Chem. Inf. Model. 49 (10) (2009)
Siew K. Yeap, Rosalind J. Walley, Michael Snarey, Willem P. van Hoorn, Jonathan S. Mason
Designing Compound Subsets: Comparison of Random and Rational Approaches Using Statistical Simulation. J. Chem. Inf. Model. 47 (6) (2007)