## Version 1.1.0 - Minor Upgrade - 2025-03:
- Query amino acid sequence for target protein in [compute_database_query](recipe:compute_database_query). Added ```fetch_amino_acid_sequence``` function in Libraries: ```/python/public_database_access.py```
- Added deduplication recipe [compute_molecules_distinct](recipe:compute_molecules_distinct).
- Modified ```molecular_descriptors``` function in Libraries: ```/python/molecular_property_prediction.py/``` to compute Quantitative Estimate of Drug-likeness(QED).
- Updated python function ```.append``` that has been deprecated. 
- Updated ```molecular_featurizer``` function in Libraries: ```/python/molecular_property_prediction.py/``` with error handling for the canonical smile format. 
- Added [Molecule Toxicity](flow_zone:7uEgjAZ) process. The zone includes the pre-uploaded [clintox_datasetch](dataset:clintox_datasetch) with information about toxicity of previously studied molecules. The solution leverages this data to train a classification model that predicts toxicity risk in potential drug candidates. 

## Version 1.0.1 - Patch Release - 2024-10:
- Minor cleaning of wiki.

## Version 1.0.0 - Initial Release - 2024-02:
- Established API connections to ChEMBL and PubChem chemistry public databases to query studied molecules for a target protein of interet. 
- Computed both fingerprint and molecular descriptors to capture the molecular properties and insights for data analytics. 
- Trained a machine learning regression model to predict molecular bioactivity. 
- Applied molecular similarity to find patterns and relations between molecules. 
- Analytical Dashboard enables users to automatically generate a quantitive structure-activity relationship and interact with studied and novel molecules. 
- A Dataiku Application is set to configure the solution set-up. 