A QSAR study for predicting malformation in zebrafish embryo.

Mahsa Daneshmand Jamileh SalarAmoliNegin BaghbanZadeh

Published in: Toxicology mechanisms and methods (2024)

The descriptors that were the most effective for developing models directly impact the mechanism of malformation, and GBM is the best model due to its MCC and BAC.

Keyphrases

molecular docking
molecular dynamics
structure activity relationship