Growing and Linking Optimizers: Synthesis-driven Molecule Design

Growing and Linking Optimizers: Synthesis-driven Molecule Design

02.28.2025

Our research paper on "Growing and Linking Optimizers: Synthesis-driven Molecule Design" has been published by ChemRxiv. We introduce Growing Optimizer (GO) and Linking Optimizer (LO), two reaction-based generative models designed to tackle one of the biggest challenges in AI-driven drug discovery: ensuring molecules are synthetically accessible from the start.

Learn how GO and LO outperform traditional generative models like REINVENT 4 by designing molecules that are not only optimized for key properties but can be easily synthesized in the lab.

Read the full publication here.