NOCTIS: open-source toolkit that turns reaction data into actionable graph networks
Built on LinChemIn (J Chem Inf Model 64(6):1765-1771, 2024), NOCTIS serves as an open and extensible toolkit for network-based reaction analysis and route mining, laying the groundwork for data-driven route design at scale. Future work will extend query capabilities and improve the efficiency of route extraction.
Authors
- Marta Pasquini (ORCID: https://orcid.org/0000-0001-6761-7142)
- Nataliya Lopanitsyna (ORCID: https://orcid.org/0000-0001-8604-6576)
- Marco Stenta
Institutions
- Syngenta (Switzerland) (CH)
Publication Details
- Journal
- Journal of Cheminformatics
- Published
- 2025-12-04
- DOI
- https://doi.org/10.1186/s13321-025-01118-w
- Primary Topic
- Advanced Graph Neural Networks
- Type
- article
- Field-Weighted Citation Impact
- 0.00