AI/ML-ready Datasets for Peptide Permeability & Oral Bioavailability or Macrocyclic Peptide Screening Libraries

AstraZeneca, a global science-led biopharmaceutical business, is seeking datasets or physical/virtual libraries of macrocyclic peptides that can help map and model the property space required for oral and cell permeable macrocyclic peptides. This initiative aims to advance the design of orally bioavailable, cell-permeable macrocyclic therapeutics through AI-led property mapping and predictive modeling.

Approaches of interest

• Annotated in vitro/vivo datasets describing permeability, oral bioavailability, enzymatic stability or other relevant properties of peptide macrocycles—including both proprietary and published collections
• Libraries of macrocyclic peptides which are suitable for screening, ideally with reference activity which would enable AI-led property mapping and predictive modelling; physical compound sets are preferred but virtual libraries may be accepted
• Novel or proprietary methods for predicting, quantifying, or modelling the physicochemical space that governs permeability and oral absorption in macrocyclic peptides
• Solutions enabling parallel evaluation of multiple macrocyclic peptides or delivering mechanistic insights

Out of Scope

• Proposals that are hypothetical, lack experimental feasibility
• Low-throughput experimental or predictive modelling approaches that are not scalable for parallel evaluation of large compound sets

Developmental stage of interest: Submissions should either provide experimental proof-of-concept, published evidence, or actionable approaches for generating datasets or screening tools. Solutions must be immediately translatable. Selected applicants will participate in a virtual Challenge Week to pitch ideas and develop workplans with AstraZeneca scientists, with winning projects beginning quickly under collaboration agreements.

Email Cameron Sargent or Swapneeta Date for more information.

Please note: Full RFP is attached in the "More Information" section of this page. Faculty and researchers interested in applying for these opportunities based on technologies developed or disclosed at Vanderbilt must submit their proposals through the CTTC.