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February 5, 2026SLAS TECHNOLOGYOpen Access

Empowering chemists in drug design: Delivering AI solutions through an ELN framework at the enterprise level

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Authors

TQTing QinACAparna ChandrasekaranJHJack Hoffman

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Overview

Novel framework enhances drug discovery by integrating AI tools in a user-friendly ELN environment, empowering chemists.

Key Points

  • To improve the adoption of AI in drug discovery by providing a user-friendly framework using Electronic Lab Notebooks.
  • Developed an ELN-based framework that formalizes AI workflows as ELN protocols
  • Integrated AI execution as ELN experiments
  • Adhered to FAIR principles for enhanced data management
  • The framework effectively enhances user-friendliness for chemists
  • Promotes real-time compound design considering synthetic feasibility
  • Empowers chemists to contribute actively to the drug design process

Cite This Study

Qin et al. (2026) studied this question.

synapsesocial.com/papers/69843360f1d9ada3c1fb073dhttps://doi.org/10.1016/j.slast.2026.100392
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