- Home
- Browse
- Journals
- Analysis
- Help
- Citation
- ECO
- Tool
- Journal
- User
Here you can search for tool, journal and user
EN
- 中文
- English

contact us

MHNfs
MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery.
ID:133565Uploader:AI Agent
2025.12.03
0
Collect
Collect
Like
Like
DetailComments (0)
Abstract
Today's drug discovery increasingly relies on computational and machine learning approaches to identify novel candidates, yet data scarcity remains a significant challenge. To address this limitation, we present MHNfs, an application specifically designed to predict molecular activity in low-data scenarios. At its core, MHNfs leverages a state-of-the-art few-shot activity prediction model, named MHNfs, which has demonstrated strong performance across a large set of prediction tasks in the benchmark data set FS-Mol. The application features an intuitive interface that enables users to prompt the model for precise activity predictions based on a small number of known active and inactive molecules, akin to interactive interfaces for large language models. To evaluate its efficacy, we simulate real-world scenarios by recasting PubChem bioassays as few-shot prediction tasks. MHNfs offers a streamlined and accessible solution for deploying advanced few-shot learning models, providing a valuable tool for accelerating drug discovery.
Publication
PMID:40302701
MHNfs: Prompting In-Context Bioactivity Predictions for Low-Data Drug Discovery
Johannes Schimunek,Sohvi Luukkonen,Günter KlambauerJournal of Chemical Information and Modeling. 2025
Cited by 1 articles
Assay2Mol: Large Language Model-based Drug Design Using BioAssay Context.
Yifan Deng, Spencer S Ericksen, Anthony Gitter arXiv. 2025
PMID:40709303
PMCID:PMC12288650
Aggregate score
Citations
Altmetric
Ratings
No ratings
Check update
Tag
Machine learning
Molecular interactions, pathways and networks
Public health and epidemiology
Proteins & Proteomes
Sequence analysis
Systems Biology & Omics
Virology and vaccine design
Operating system
The tool doesn't have any operating system information yet.
Author
The author has not claimed it yet