Developing a new method to prioritize small molecules for drug discovery
Official title: Rational prioritization algorithm for docking-based virtual screening of trillion-scale make-on-demand small molecule libraries
Funded at University of California, San Francisco · NIH-11079429 · Data updated 2026-11-12
This study is working on a new way to quickly find the best potential medicines from a huge collection of small molecules, which could help develop better treatments for various health conditions.
Quick facts
| Grant type | Fellowship grant |
|---|---|
| Study type | NIH-funded research |
| Funding institution | University of California, San Francisco NIH-funded |
| Lab location | 1 site (San Francisco, United States) |
| Project start | May 1, 2024 |
| Project end | April 30, 2027 |
| Funding year | 2025 |
| Award (this year) | $74,284 |
| NIH project number | 5F32GM154469-02 |
| Project ID | NIH-11079429 on NIH RePORTER |
Who could benefit from this research
✓Could help
Ideal candidates for this research are individuals with conditions that currently lack effective treatments or require novel therapeutic approaches.
✕Less likely to help
Patients with well-established treatment options may not benefit directly from this research.
What this research studies
This research focuses on creating a novel algorithm to efficiently prioritize small molecules from vast libraries for drug discovery. By using an iterative approach, the method docks a small random subset of molecules to identify promising candidates while exploring new chemical spaces. This could lead to more effective drug development processes, especially for conditions that require innovative treatments. The research aims to overcome current limitations in machine learning and docking methods, enhancing the accuracy and novelty of drug candidates.
Why it matters
Potential benefit: If successful, this research could lead to faster and more effective drug discovery, potentially resulting in new treatments for various diseases.
How similar studies have gone: Other research has shown promise in using prioritization algorithms for drug discovery, indicating that this approach could be a significant advancement in the field.
Where this research is happening
-
University of California, San Francisco
San Francisco, United States Active
Researchers
- Principal investigator: Mailhot, Olivier — University of California, San Francisco
- Study coordinator: Mailhot, Olivier
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About this research
- This is an active NIH-funded research project — typically early-stage science, not a clinical trial accepting patient enrollment.
- Some NIH-funded labs run parallel clinical studies or seek volunteers for related work. To check, contact the principal investigator or institution listed above.
- For full project details, budget, and progress reports, visit the official NIH RePORTER page.