Publications

Deep generative models for 3D molecular structure. B Baillif, J Cole, P McCabe, A Bender – Curr Opin Struct Biol (2023) 80, 102566 (doi: 10.1016/j.sbi.2023.102566)

Exploring the Use of Compound-Induced Transcriptomic Data Generated From Cell Lines to Predict Compound Activity Toward Molecular Targets. B Baillif, J Wichard, O Méndez-Lucio, D Rouquié – Front Chem (2020) 8, 296 (doi: 10.3389/fchem.2020.00296)

De novo generation of hit-like molecules from gene expression signatures using artificial intelligence O Méndez-Lucio, B Baillif, D-A Clevert, D Rouquié, J Wichard – Nature Communications (2020) 11, 10 (doi: 10.1038/s41467-019-13807-w)

Talks and posters at conferences

Ninth Joint Sheffield conference on Cheminformatics: Slides

CHIA launch event: Poster

5th RSC AI in Chemistry conference: Poster

CCDC Science Day 2022: Video / Slides

International Conference on Chemical Structures (ICCS) 2022: Slides

I was also present at the UK QSAR conferences: Spring 2022, Autumn 2022, and Spring 2023