@article{haddadi:hal-02086462, TITLE = {{DFT and QSAR investigations of substituent effects in pyrazolooxazine derivatives Activity prediction}}, AUTHOR = {Haddadi, Zehira and Meghezzi, Hac{\`e}ne and Amar, Anissa and Boucekkine, Abdou and Bennamane, Norah and Nedjar-Kolli, Bellara and Belaidi, Salah and Kerassa, Aicha}, URL = {https://univ-rennes.hal.science/hal-02086462}, JOURNAL = {{Journal of Theoretical and Computational Chemistry}}, PUBLISHER = {{World Scientific Publishing}}, VOLUME = {18}, NUMBER = {1}, PAGES = {-}, YEAR = {2019}, MONTH = Feb, DOI = {10.1142/S0219633619500019}, KEYWORDS = {electrostatic potential ; Pyrazolooxazine ; QSAR ; structure-activity relationship ; DFT ; NBO}, HAL_ID = {hal-02086462}, HAL_VERSION = {v1}, }