1. 3D chemical structures allow robust deep learning models for retention time prediction. (20th September 2022) Authors: Zaretckii, Mark; Bashkirova, Inga; Osipenko, Sergey; Kostyukevich, Yury; Nikolaev, Evgeny; Popov, Petr Journal: Digital discovery Issue: Volume 1:Number 5(2022) Page Start: 711 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A forward view for Digital Discovery: the scientific challenges of the twenty-first century require accelerated discovery approaches. (3rd February 2022) Authors: Aspuru-Guzik, Alán Journal: Digital discovery Issue: Volume 1:Number 1(2022) Page Start: 6 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A fully automated platform for photoinitiated RAFT polymerization. (12th January 2023) Authors: Lee, Jules; Mulay, Prajakatta; Tamasi, Matthew J.; Yeow, Jonathan; Stevens, Molly M.; Gormley, Adam J. Journal: Digital discovery Issue: Volume 2:Number 1(2023) Page Start: 219 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A review of reinforcement learning in chemistry. (12th September 2022) Authors: Gow, Stephen; Niranjan, Mahesan; Kanza, Samantha; Frey, Jeremy G Journal: Digital discovery Issue: Volume 1:Number 5(2022) Page Start: 551 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. A self-driving laboratory designed to accelerate the discovery of adhesive materials. (7th June 2022) Authors: Rooney, Michael B.; MacLeod, Benjamin P.; Oldford, Ryan; Thompson, Zachary J.; White, Kolby L.; Tungjunyatham, Justin; Stankiewicz, Brian J.; Berlinguette, Curtis P. Journal: Digital discovery Issue: Volume 1:Number 4(2022) Page Start: 382 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. A smile is all you need: predicting limiting activity coefficients from SMILES with natural language processing. (14th October 2022) Authors: Winter, Benedikt; Winter, Clemens; Schilling, Johannes; Bardow, André Journal: Digital discovery Issue: Volume 1:Number 6(2022) Page Start: 859 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. A transfer learning protocol for chemical catalysis using a recurrent neural network adapted from natural language processing. (22nd April 2022) Authors: Singh, Sukriti; Sunoj, Raghavan B. Journal: Digital discovery Issue: Volume 1:Number 3(2022) Page Start: 303 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. A unified ML framework for solubility prediction across organic solvents. (8th February 2023) Authors: Vassileiou, Antony D.; Robertson, Murray N.; Wareham, Bruce G.; Soundaranathan, Mithushan; Ottoboni, Sara; Florence, Alastair J.; Hartwig, Thoralf; Johnston, Blair F. Journal: Digital discovery Issue: Volume 2:Number 2(2023) Page Start: 356 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. A Δ-machine learning approach for force fields, illustrated by a CCSD(T) 4-body correction to the MB-pol water potential. (19th August 2022) Authors: Qu, Chen; Yu, Qi; Conte, Riccardo; Houston, Paul L.; Nandi, Apurba; Bomwan, Joel M. Journal: Digital discovery Issue: Volume 1:Number 5(2022) Page Start: 658 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Academic free speech or right-wing grievance?. (8th March 2023) Authors: Herbert, John M. Journal: Digital discovery Issue: Volume 2:Number 2(2023) Page Start: 260 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗