Automated extraction of chemical synthesis actions from experimental procedures
- Alain C. Vaucher
- Federico Zipoli
- et al.
- 2020
- Nature Communications
Paper
Publications
635 results for Accelerated Discovery
PaccMannRL on SARS-CoV-2: Designing antiviral candidates with conditional generative models
- Jannis Born
- Matteo Manica
- et al.
- 2020
- ICML 2020
Workshop paperPredicting Future Accident Risks of Older Drivers by Speech Data from a Voice-Based Dialogue System: A Preliminary Result
- Yasunori Yamada
- Kaoru Shinkawa
- et al.
- 2020
- AHFE 2020
Conference paperCP2K: An electronic structure and molecular dynamics software package -Quickstep: Efficient and accurate electronic structure calculations
- Thomas D. Kühne
- Marcella Iannuzzi
- et al.
- 2020
- Journal of Chemical Physics
ReviewExploring chemical space using natural language processing methodologies for drug discovery
- Hakime Öztürk
- Arzucan Özgür
- et al.
- 2020
- Drug Discovery Today
ReviewPredicting retrosynthetic pathways using transformer-based models and a hyper-graph exploration strategy
- Philippe Schwaller
- Riccardo Petraglia
- et al.
- 2020
- Chemical Science
PaperComparison of computational methods for the electrochemical stability window of solid-state electrolyte materials
- Tobias Binninger
- Aris Marcolongo
- et al.
- 2020
- Journal of Materials Chemistry A
PaperFPGA Accelerated Analysis of Boolean Gene Regulatory Networks
- 2019
- IEEE/ACM TCBB
PaperMolecular Transformer: A Model for Uncertainty-Calibrated Chemical Reaction Prediction
- Philippe Schwaller
- Teodoro Laino
- et al.
- 2019
- ACS Central Science
PaperFRAMEWORK FOR RELIABLE VALUE ASSESSMENT OF TREATMENTS USING CAUSAL ANALYSIS OF OBSERVATIONAL DATA- SUPPORT MATCHING BIOLOGICAL THERAPY TO RHEUMATOID ARTHRITIS PATIENTS
- 2019
- ISPOR 2019
Talk