QSAR design of triazolopyridine mGlu2 receptor positive allosteric modulators
Topomer CoMFA identification of new positive allosteric modulators of the mGlu2 receptor. Comparison of 3D and 2D QSAR approaches in prospective application. Design and synthesis performed based on predictions from QSAR modelling. QSAR model performance deterioration during project evolution. R-group substituents accessing new chemical space identified based on QSAR model.
qsar allosteric modulator topomer comfa top-comfa svm