Publications

511 results for Accelerated Discovery

Characterizing the Latent Space of Molecular Deep Generative Models with Persistent Homology Metrics
- - Yair Schiff
  - Payel Das
  - et al.
- 2020
- NeurIPS 2020
Completion of partial reaction equations
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2020
- NeurIPS 2020
Data augmentation strategies to improve reaction yield predictions and estimate uncertainty
- - Philippe Schwaller
  - Alain Vaucher
  - et al.
- 2020
- NeurIPS 2020
User Centric Genomics Infrastructure: trends and technologies
- - Ritesh Krishna
  - Vadim Elisseev
- 2020
- Genome
Transfer learning enables the molecular transformer to predict regio- and stereoselective reactions on carbohydrates
- - Giorgio Pesciullesi
  - Philippe Schwaller
  - et al.
- 2020
- Nature Communications
Chemistry puppeteer: Enhancing the diversity of retrosynthetic predictions
- - Alessandra Toniato
  - Philippe Schwaller
  - et al.
- 2020
- ACS Fall 2020
Reaction Transformers for Fingerprints, Classification and Atom-Mapping
- - Philippe Schwaller
  - Daniel Probst
  - et al.
- 2020
- ACS Fall 2020
Automated extraction of chemical synthesis actions from experimental procedures
- - Alain C. Vaucher
  - Federico Zipoli
  - et al.
- 2020
- Nature Communications
PaccMannRL on SARS-CoV-2: Designing antiviral candidates with conditional generative models
- - Jannis Born
  - Matteo Manica
  - et al.
- 2020
- ICML 2020
Predicting 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