Publications

137 results for Teodoro Laino

Molecular transformer-aided biocatalysed synthesis planning
- - Daniel Probst
  - Matteo Manica
  - et al.
- 2022
- ACS Spring 2022
Human-in-the-loop for a Disconnection Aware Retrosynthesis
- - Andrea Antonia Byekwaso
  - Alain Vaucher
  - et al.
- 2022
- ACS Spring 2022
Identification of enzymatic active sites with unsupervised language modelling
- - Loic Kwate Dassi
  - Matteo Manica
  - et al.
- 2022
- ACS Spring 2022
Machine intelligence for chemical reaction space
- - Philippe Schwaller
  - Alain C. Vaucher
  - et al.
- 2022
- WIREs Computational Molecular Science
Grand challenges on accelerating discovery in catalysis
- - Alessandra Toniato
  - Alain C. Vaucher
  - et al.
- 2022
- Catalysis Today
Biocatalysed synthesis planning using data-driven learning
- - Daniel Probst
  - Matteo Manica
  - et al.
- 2022
- Nature Communications
On the automation of de-novo molecular design and chemical synthesis planning: A case study on SARS-CoV-2
- - Jannis Born
  - Matteo Manica
  - et al.
- 2021
- ACS Fall 2021
Inferring missing molecules in incomplete chemical equations
- - Alain Vaucher
  - Philippe Schwaller
  - et al.
- 2021
- ACS Fall 2021
Low-data regime yield predictions with uncertainty estimation using deep learning approaches
- - Philippe Schwaller
  - Alain Vaucher
  - et al.
- 2021
- ACS Fall 2021
POCSTagger: Identifying part-of-chemical-speech with transformers
- - Alessandra Toniato
  - Philippe Schwaller
  - et al.
- 2021
- ACS Fall 2021