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Table 4 Summary of the models used for prediction-driven MMP analysis

From: Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process

Endpoint/Property

Training set size

Web-link

Aquatic toxicity

1 093

http://ochem.eu/model/3

CYP3A4 inhibition

15 316

http://ochem.eu/model/163

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Journal of Cheminformatics

ISSN: 1758-2946

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