Nikita Janakarajan

Publications

• Language models in molecular discovery

  • • Nikita Janakarajan
    • Tim Erdmann
    • et al.
  • 2023
  • NeurIPS 2023

• Chemical representation learning for toxicity prediction

  • • Jannis Born
    • Greta Markert
    • et al.
  • 2023
  • Digital Discovery

• Attention-based Interpretable Regression of Gene Expression in Histology

  • • Mara Graziani
    • Niccolò Marini
    • et al.
  • 2022
  • MICCAI 2022

• A Fully Differentiable Set Autoencoder

  • • Nikita Janakarajan
    • Jannis Born
    • et al.
  • 2022
  • KDD 2022

• 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

• Data-driven molecular design for discovery and synthesis of novel ligands: A case study on SARS-CoV-2

  • • Jannis Born
    • Matteo Manica
    • et al.
  • 2021
  • Machine Learning: Science and Tech.