79 citations · 149 across the 13 of their papers we have counts for
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q-bio.QM2021
Structure-aware generation of drug-like molecules
Pavol Drotár, Arian Rokkum Jamasb, Ben Day +2
Structure-based drug design involves finding ligand molecules that exhibit structural and chemical complementarity to protein pockets. Deep generative methods have shown promise in…
q-bio.QM2020★ 6 cited
Utilising Graph Machine Learning within Drug Discovery and Development
Thomas Gaudelet, Ben Day, Arian R. Jamasb +11
Graph Machine Learning (GML) is receiving growing interest within the pharmaceutical and biotechnology industries for its ability to model biomolecular structures, the functional r…