WHAT IS NEW
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Release 25.12 – 11/12/2025
Use fixed fragment complexity descriptor calculator library
Fix dataset inconsistent nitro groups SMILES -
First release – 04/11/2025
QSAR-ME Profiler 2025 – descriptors calculators source code
WHAT IS NEW
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Second release – 11/12/2025
Fix fragment complexity descriptor calculation
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First release – 04/11/2025
WHAT IS NEW
- Beta version 1.03 – 22/09/2025
Add climate indicators MLR models
- Beta version 1.03 – 15/07/2025
Report metabolic clearance predictions output as IVBP-Suite
- Beta version 1.02 – 27/05/2025
Add human transthyretin binding ability MLR and LDA models for PFAS
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Beta version 1.02 – 27/09/2024
Add human transthyretin binding ability MLR models
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Beta version 1.02 – 16/02/2023
Fix sporadic missing detections of biotransformation models
Fix model QSAR 09.18 (In vitro HCL rat-microsome aliphatic hydroxylation) QMRF broken link
Fix display of always the first LDA class in Predictions report
Charts now plot user data above training data
MLR prediction interval uncertainty set to 95% instead of 97.25%
Add fish biomagnification factor MLR model -
Beta version 1.01 – 03/10/2022
Fix missing update of neighbors tables when no neighbors are detected
Add fish bioconcentration factor LDA and MLR models
Update fish dietary biomagnification factor model -
Beta version 1.0 – 29/06/2022
First beta version release