Cambridge Cheminformatics Meeting - Invited Talk
Identifying Novel Nanomolar A2A Receptor Ligands by Combining Docking and Reinforcement Learning
Conference Presentations
Drug Discovery Chemistry (Europe) - Invited Talk
Protein-guided generative molecular design: where are we going?
UKQSAR - Invited Talk
Structure-based generative molecular design: from 2D or 3D?
9th Joint Sheffield Conference on Chemoinformatics - Poster
MolScore: A scoring and evaluation framework for de novo drug design
ELLIS ML4Molecules Workshop - Conference Presentation
Re-evaluating sample efficiency in de novo molecule generation
MGMS Young Modellers’ Forum - Conference Presentation
Sample efficient structure-based de novo drug design in the hunt for novel GPCR antagonists with Augmented Hill-Climb
UKQSAR - Poster
5th RSC/CICAG Artificial Intelligence in Chemistry - Poster
International Conference on Chemical Structures - Conference Presentation
Augmented Hill-Climb improves language-based de novo molecule generation as benchmarked via the open-source MolScore platform
5th European Research Network on Signal Transduction - Conference Presentation
4th RSC/CICAG Artificial Intelligence in Chemistry - Conference Presentation
Best practice for chemical language model de novo design of GPCR ligands: datasets, scoring functions and optimization algorithms