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Khemchandani, Yash, O'Hagan, Stephen, Samanta, Soumitra, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy J, Bollegala, Danushka ORCID: 0000-0003-4476-7003 and Kell, Douglas B ORCID: 0000-0001-5838-7963 (2020) DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approach. Journal of Cheminformatics, 12 (1). 53-.

Bezuidenhout, Johannes A, Venter, Chantelle, Roberts, Timothy J, Tarr, Gareth, Kell, Douglas B ORCID: 0000-0001-5838-7963 and Pretorius, Etheresia (2020) Detection of Citrullinated Fibrin in Plasma Clots of Rheumatoid Arthritis Patients and Its Relation to Altered Structural Clot Properties, Disease-Related Inflammation and Prothrombotic Tendency. FRONTIERS IN IMMUNOLOGY, 11. 577523-.

Samanta, Soumitra ORCID: 0000-0003-2200-3061, O'Hagan, Steve, Swainston, Neil ORCID: 0000-0001-7020-1236, Roberts, Timothy J ORCID: 0000-0002-1464-0151 and Kell, Douglas B ORCID: 0000-0001-5838-7963 (2020) VAE-Sim: A Novel Molecular Similarity Measure Based on a Variational Autoencoder. Molecules, 25 (15). E3446-.

Borodina, Irina, Kenny, Louise C ORCID: 0000-0002-9011-759X, McCarthy, Cathal M, Paramasivan, Kalaivani, Pretorius, Etheresia, Roberts, Timothy J ORCID: 0000-0002-1464-0151, van der Hoek, Steven A and Kell, Douglas B ORCID: 0000-0001-5838-7963 (2020) The biology of ergothioneine, an antioxidant nutraceutical. NUTRITION RESEARCH REVIEWS, 33 (2). pp. 190-217.