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September 10, 20251 citationsOpen Access

Addressing Synthesizability Challenges in Generative Small-Molecule Design

The elephant in the lab: Synthesizability in generative small-molecule design

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Authors

SPSven M. PapidochaABAndreas BurgerVBVarinia Bernales

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Overview

This opinion highlights how generative models improve synthesizability in small molecules, suggesting new research directions.

Key Points

  • Incorporating synthesizability into generative models enhances the design of small molecules and accelerates discovery.
  • Notable advancements in addressing the synthesizability of generated candidates promote more effective molecular design methodologies.
  • Despite progress, many proposed small molecules remain untested in experimental validation, limiting practical applications.
  • Continued focus on synthesizability is essential for bridging the gap between computational predictions and laboratory outcomes.

Cite This Study

Papidocha et al. (2025) studied this question.

synapsesocial.com/papers/68c183f09b7b07f3a060f7b8https://doi.org/10.26434/chemrxiv-2025-1lcpq
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