Through the Night to the Light: Navigating the Chemical Reaction Data with Noctis – GT Pharma 2025

GraphTalk Pharma & LifeScience 2025

Chemical reaction data from literature, patents, high-throughput screens and ELNs is growing fast yet hard to navigate. This recorded session introduced NOCTIS, an MIT-licensed toolkit that turns reaction strings into a knowledge graph with three lines of Python code, ready for queries and synthetic route mining. We walked through an end-to-end pipeline—from lab bench to data lake to graph—and showed how graph thinking unlocked actionable insights to accelerate synthesis planning.
Grab the code at https://github.com/syngenta/noctis

Speaker:
Nataliya Lopanitsyna – Principal Data Scientist Computer Assisted Synthesis, Syngenta

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