How it works
- 1Review how QFold selects its similarity method.
- 2Read the recommended citation if you use the project in academic work.
- 3Open QFold on Biochemoinfo and follow the project instructions.
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EXTERNAL · Biochemoinfo scientific project
I want to explore protein structures and drug-target interactions
QFold – AI-Assisted Molecular Similarity Search
Use QFold to find similar molecules: HOMO/LUMO similarity is used for molecules up to 9 atoms, while larger molecules are compared with Morgan fingerprints.
✓ Computational chemistry research project✓ HOMO/LUMO similarity up to 9 atoms✓ Morgan fingerprints for larger molecules
External scientific project
Open QFold
Continue to the QFold molecular similarity search project on Biochemoinfo.
Go to QFold ↗
If you use QFold in academic work, please cite:
KURT, B. (2026). AI-Assisted Identification of a Putative Allosteric Ligand Targeting the CDK4 Cyclin D1 Protein Protein Interface. Pharmaceuticals, 19, 0–0. DOI:
https://dx.doi.org/10.3390/ph19060970
About this tool
QFold is a Biochemoinfo molecular similarity project. It uses HOMO/LUMO similarity for molecules up to 9 atoms and Morgan fingerprint similarity for molecules with more than 9 atoms.
Common uses
molecular similarityHOMO LUMOMorgan fingerprintcomputational chemistry
Frequently asked questions
How does QFold compare molecules?
For molecules with up to 9 atoms, QFold uses HOMO/LUMO similarity. For molecules with more than 9 atoms, it uses Morgan fingerprint similarity.
Does Toolardo run the QFold calculation?
No. This Toolardo entry is an information and redirection page for the external QFold project.
What should I cite?
If you use QFold in academic work, please cite the referenced Pharmaceuticals article listed on this page.