Abstract
The quantitative structure-property relationship (QSPR) study was performed between descriptors representing the molecular structures and refractive indices for a set of 35 pi-conjugated polymers. A seven-descriptor correlation was developed for the prediction of refractive indices with R = 0.936 and s = 0.028 by stepwise multilinear regression analysis. The average relative error for the calculation of refractive indices was 1.022%. The stability of the proposed model was validated using leave-one-out cross-validation and randomization experiments. Since the model requires only molecular descriptors derived solely from the repeating unit structures of conjugated polymers, it has better predictive capability comparing with the existing group-contribution methods.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
