Blog
ChemAIRS® vs SYNTHIA®
Compare ChemAIRS® and SYNTHIA® for retrosynthesis: rule-based vs machine learning approaches, use cases by role, and how to choose the right fit.
ChemAIRS® vs Reaxys® vs SYNTHIA®
Compare ChemAIRS®, Reaxys®, and SYNTHIA® for computer-aided synthesis planning: what each tool does, where they overlap, and how to choose.
Oveporexton (TAK-861): A First-in-Class Orexin Agonist for Narcolepsy Type 1 and Its ChemAIRS® Retrosynthesis
Retrosynthetic analysis of oveporexton (TAK-861), the first-in-class OX2R agonist for narcolepsy type 1, now under FDA Priority Review, planned with ChemAIRS®.
Synthesis of Vepdegestrant (ARV-471): ChemAIRS® Route Design for the First Approved PROTAC
Synthesis of vepdegestrant (ARV-471): ChemAIRS® retrosynthetic analysis of the first FDA-approved PROTAC degrader for ESR1-mutated breast cancer.
Synthesis of Daraxonrasib (RMC-6236): ChemAIRS® Retrosynthetic Analysis Behind the FDA-Accepted RAS(ON) Inhibitor
Synthesis of daraxonrasib (RMC-6236): ChemAIRS® proposes discovery and process routes for the RAS(ON) inhibitor now under FDA review.
ChemAIRS®-Proposed Synthesis of Zidesamtinib (NVL-520), the Newly Approved TRK-Sparing ROS1 Inhibitor
ChemAIRS-proposed synthesis of zidesamtinib (NVL-520): two routes to the macrocyclic ROS1 inhibitor just approved for previously treated ROS1+ NSCLC.
Integrating Human Insight with AI: Retrosynthetic Exploration of Surzetoclax (ABBV-453)
Using ChemAIRS, we explored synthetic pathways to AbbVie’s Surzetoclax (ABBV-453), a highly complex, next-generation BCL-2 inhibitor weighing nearly 1000 Da with multiple fused tricyclic and macrocyclic rings. In High-Risk Retrosynthesis mode, ChemAIRS showcased its ability to navigate this molecular complexity. Guided by human insight, the AI-driven retrosynthesis platform delivered a streamlined, convergent, and experimentally executable synthesis, highlighting the power of human-AI collaboration in modern drug discovery.