Growing strings in a chemical reaction space for searching retrosynthesis pathways
- Federico Zipoli
- Carlo Baldassari
- et al.
- 2024
- npj Computational Materials
Publications
14 results for Jannis Born
Overcoming limitations in current measures of drug response may enable AI-driven precision oncology
- Katja Ovchinnikova
- Jannis Born
- et al.
- 2024
- npj Precision Oncology
Artificial intelligence driven design of catalysts and materials for ring opening polymerization using a domain-specific language
- Nathaniel H. Park
- Matteo Manica
- et al.
- 2023
- Nature Communications
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Regression Transformer enables concurrent sequence regression and generation for molecular language modelling
- Jannis Born
- Matteo Manica
- 2023
- Nature Machine Intelligence
On the Choice of Active Site Sequences for Kinase-Ligand Affinity Prediction
- Jannis Born
- Yoel Shoshan
- et al.
- 2022
- J. Chem. Inf. Model.
A Fully Differentiable Set Autoencoder
- Nikita Janakarajan
- Jannis Born
- et al.
- 2022
- KDD 2022
Active Site Sequence Representations of Human Kinases Outperform Full Sequence Representations for Affinity Prediction and Inhibitor Generation: 3D Effects in a 1D Model
- Jannis Born
- Tien Huynh
- et al.
- 2021
- J. Chem. Inf. Model.
On the role of artificial intelligence in medical imaging of COVID-19
- Jannis Born
- David Beymer
- et al.
- 2021
- Patterns
PaccMannRL: De novo generation of hit-like anticancer molecules from transcriptomic data via reinforcement learning
- Jannis Born
- Matteo Manica
- et al.
- 2021
- iScience