BioNCE - Biological New Chemical Entities

An Intelligent digital system for classification of molecules querying chemical and biological databases and entities discovery based on machine learning.

Motivation

Features

• Query entities on several databases (ChEMBL, PDB, PubChem, others);
• Machine learning models ready to apply.

Examples

All of our examples can be found here in the form of Python notebook tutorials

Report issues

References

If you use BioNCE in your research, please cite: