1. "Found in Translation": predicting outcomes of complex organic chemistry reactions using neural sequence-to-sequence models. Issue 28 (27th June 2018) Authors: Schwaller, Philippe; Gaudin, Théophile; Lányi, Dávid; Bekas, Costas; Laino, Teodoro Journal: Chemical science Issue: Volume 9:Issue 28(2018) Page Start: 6091 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Cover Image, Volume 12, Issue 5. (8th September 2022) Authors: Schwaller, Philippe; Vaucher, Alain C.; Laplaza, Ruben; Bunne, Charlotte; Krause, Andreas; Corminboeuf, Clemence; Laino, Teodoro Journal: Wiley interdisciplinary reviews Issue: Volume 12:Number 5(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Enhancing diversity in language based models for single-step retrosynthesis. (6th March 2023) Authors: Toniato, Alessandra; Vaucher, Alain C.; Schwaller, Philippe; Laino, Teodoro Journal: Digital discovery Issue: Volume 2:Number 2(2023) Page Start: 489 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Exploring chemical space using natural language processing methodologies for drug discovery. Issue 4 (April 2020) Authors: Öztürk, Hakime; Özgür, Arzucan; Schwaller, Philippe; Laino, Teodoro; Ozkirimli, Elif Journal: Drug discovery today Issue: Volume 25:Issue 4(2020) Page Start: 689 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Insights into photovoltaic properties of ternary organic solar cells from phase diagrams. Issue 1 (31st December 2018) Authors: Makha, Mohammed; Schwaller, Philippe; Strassel, Karen; Anantharaman, Surendra B.; Nüesch, Frank; Hany, Roland; Heier, Jakob Journal: Science and technology of advanced materials Issue: Volume 19:Issue 1(2018) Page Start: 669 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Machine intelligence for chemical reaction space. (7th March 2022) Authors: Schwaller, Philippe; Vaucher, Alain C.; Laplaza, Ruben; Bunne, Charlotte; Krause, Andreas; Corminboeuf, Clemence; Laino, Teodoro Journal: Wiley interdisciplinary reviews Issue: Volume 12:Number 5(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Predicting enzymatic reactions with a molecular transformer. Issue 25 (1st June 2021) Authors: Kreutter, David; Schwaller, Philippe; Reymond, Jean-Louis Journal: Chemical science Issue: Volume 12:Issue 25(2021) Page Start: 8648 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Predicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy. Issue 12 (9th March 2020) Authors: Schwaller, Philippe; Petraglia, Riccardo; Zullo, Valerio; Nair, Vishnu H.; Haeuselmann, Rico Andreas; Pisoni, Riccardo; Bekas, Costas; Iuliano, Anna; Laino, Teodoro Journal: Chemical science Issue: Volume 11:Issue 12(2020) Page Start: 3316 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Prediction of chemical reaction yields using deep learning. Issue 1 (31st March 2021) Authors: Schwaller, Philippe; Vaucher, Alain C; Laino, Teodoro; Reymond, Jean-Louis Journal: Machine learning: science and technology Issue: Volume 2:Issue 1(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Reaction classification and yield prediction using the differential reaction fingerprint DRFP. (31st January 2022) Authors: Probst, Daniel; Schwaller, Philippe; Reymond, Jean-Louis Journal: Digital discovery Issue: Volume 1:Number 2(2022) Page Start: 91 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗