Projects funded by the NCN
NMR Spectroscopy as Molecular Language: A Deep Learning Approach to Bioactivity Prediction
2025/57/N/NZ7/03442
Keywords:
Chemoinformatics NMR spectroscopy QSAR modeling QSPR modeling QSDAR modeling Artificial intelligence Deep neural networks Graph neural networks Convolutional neural networks Correlation spectroscopy COSY HSQC Biological activity prediction Applicability domain Model interpretability SHAP ADME prediction 5-HT6 receptor μ-opioid receptor H3 receptor In silico drug design logD prediction logP prediction Spectroscopic data Molecular representation Machine learning Hyperparameter optimization,
Descriptors:
- NZ7_14:
- ST4_02:
- ST6_12:
Panel:
NZ7 - Diagnostic tools, therapies and public health: public health, epidemiology, environmental health risks and occupational medicine, medical ethics, drug discovery and therapies, pharmacology
Host institution :
Instytut Farmakologii PAN
woj. małopolskie
Principal investigator (from the host institution):
Number of co-investigators in the project: 3
Call: PRELUDIUM 24 - announced on 2025-03-17
Amount awarded: 209 999 PLN
Project start date (Y-m-d): 2026-01-28
Project end date (Y-m-d): 2029-01-27
Project duration:: 36 months (the same as in the proposal)
Project status: Pending project
Project description
Download the project description in a pdf file
Note - project descriptions were prepared by the authors of the applications themselves and placed in the system in an unchanged form.