Harnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
Publications
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128 results for Teodoro Laino
Automatic structure elucidation from IR spectra
- 2023
- ACS Fall 2023
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- Alain Vaucher
- Matteo Manica
- et al.
- 2023
- ACS Spring 2023
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
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- ACS Spring 2021
Predicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
Balancing Computational Chemistry's Green Potential With Its Environmental Impact
- Oliver Schilter
- Teodoro Laino
- et al.
- 2024
- ACS Fall 2024
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- Oliver Schilter
- Daniel Pacheco Gutierrez
- et al.
- 2024
- ACS Fall 2024
A Multimodal Transformer Model for comprehensive Structure Elucidation
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- ACS Fall 2024
Creating labs that learn through automated data management
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- ACS Fall 2023