Author

Willem P. van Hoorn

ORCID 0000-0002-5325-4261Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Approach:machine learning (classical)· 1

Frequent Co-Authors

Aleksandra KalisziD· 1 shared Anthony R BradleyiD· 1 shared Charlotte Mary DeaneiD· 1 shared Fergus ImrieiD· 1 shared Maranga MokayaiD· 1 shared

Activity by Year

2022-2022 · peak 1/yr

Co-Author Collaboration Network

5 top collaborators · 10 mutual co-author links

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1 shared paperBioinformatics

Aleksandra KaliszORCID

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1 paper

Recent·Most cited

Testing the Limits of SMILES-based De Novo Molecular Generation with Curriculum and Deep Reinforcement Learning

Maranga Mokaya, Fergus Imrie, Willem P. van Hoorn, Aleksandra Kalisz, Anthony R Bradley, Charlotte Mary Deane

This paper evaluates RNN-based de novo molecular generation under limited training data and proposes a curriculum learning approach to improve diversity and control, while highlighting limitations of SMILES representations.

bioRxiv · Jul 15, 2022 · PreprintBioinformatics