Our publications

Initial clinical data on baricitinib as potential treatment for COVID-19 published in EMBO Journal
June 24, 2020
EMBO Molecular Medicine
COVID-19: combining antiviral and anti-inflammatory treatments
February 27, 2020
The Lancet
DeeplyTough: Learning Structural Comparison of Protein Binding Sites
February 5, 2020
Journal of Chemical Information and modeling
Baricitinib as potential treatment for 2019-nCoV acute respiratory disease
February 4, 2020
The Lancet
Interpretable Graph Convolutional Neural Networks for Inference on Noisy Knowledge Graphs
December 1, 2019
Neurips 2018
Biomedical relation extraction with pre-trained language representations and minimal task-specific architecture.
September 26, 2019
EMNLP 2019
Interpret: Constructing large scale biomedical knowledge bases from scratch with rapid annotation of interpretable patterns
July 2, 2019
ACL 2019
GuacaMol: Benchmarking Models for De Novo Molecular Design
March 19, 2019
Journal of Chemical Information and Modeling
DEFactor: Differentiable Edge Factorization-based Probabilistic Graph Generation
November 24, 2018
Neurips 2018
Adjusting for Confounding in Unsupervised Latent Representations of Images
November 15, 2018
Neurips 2018
Artificial intelligence in drug discovery
August 13, 2018
Future Medicinal Chemistry
Clinical trial design and dissemination: comprehensive analysis of clinicaltrials.gov and PubMed data since 2005
June 6, 2018
British Medical Journal
Chapter Five - Big Data in Drug Discovery
April 10, 2018
Elsevier
Organic synthesis provides opportunities to transform drug discovery
April 4, 2018
Nature Chemistry
Planning chemical syntheses with deep neural networks and symbolic AI
March 28, 2018
Nature
Exploring deep recurrent models with reinforcement learning for molecule design
March 27, 2018
ICLR 2018
Special Issue: Cheminformatics in Drug Discovery
March 20, 2018
ChemMedChem