Machine intelligence for chemical reaction space

• Generate what you can make: achieving in-house synthesizability with readily available resources in de novo drug design

  2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access

  15

  citations
• Multi-objective synthesis planning by means of Monte Carlo Tree search

  2025 Artificial Intelligence in the Life Sciences article Computer Science Computational Drug Discovery Methods Open access

  5

  citations
• Generate What You Can Make: Achieving in-house synthesizability with readily available resources in de novo drug design

  2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

  3

  citations
• Models Matter: the impact of single-step retrosynthesis on synthesis planning

  2024 Digital Discovery article Computer Science Computational Drug Discovery Methods Open access

  36

  citations

4 results

• Summit: Benchmarking Machine Learning Methods for Reaction Optimisation

  2021 Chemistry - Methods article Materials Science Machine Learning in Materials Science Open access cited by 1 patent

  92

  citations

1 result