eng Science and Education Publishing Journal of Materials Physics and Chemistry 2333-4444 2021-04-24 9 1 9 15 10.12691/jmpc-9-1-2 JMPC2021912 article Doumad¨¦ ZON zondoumade@gmail.com 1 Jean St¨¦phane N¡¯DRI 2 Ad¨¦yol¨¦ TIMOTOU 2 Ahmont Landry Claude KABLAN 2 Mamadou Guy-Richard KON¨¦ 2 Mahama OUATTARA 3 Drissa SISSOUMA 4 D¨¦partement de Math¨¦matiques-Physique-Chimie, UFR des Sciences Biologiques, Universit¨¦ Peleforo Gon Coulibaly de Korhogo, BP 1328 Korhogo, C?te d¡¯Ivoire Laboratoire de Thermodynamique et de Physico-Chimie du Milieu, UFR SFA, Universit¨¦ Nangui Abrogoua 02 BP 801 Abidjan 02, C?te-d¡¯Ivoire Laboratoire de Chimie Th¨¦rapeutique et Biomol¨¦cules, UFR des Sciences Pharmaceutiques et Bilogiques, Universit¨¦ F¨¦lix Houphou?t-Boigny 01 BP V 34 Abidjan, C?te-d¡¯Ivoire Laboratoire de Constitution et R¨¦action de la mati¨¨re, UFR SSMT, Universit¨¦ F¨¦lix Houphou?t-Boigny 22 BP 582 Abidjan, C?te-d¡¯Ivoire This QSAR study involved a series of benzimidazolylchalcone derivatives. It allowed us to obtain a model from the molecular descriptors and anthelminthical activity against Haemonchus contortus. The molecular descriptors were obtained by applying the methods of quantum chemistry at the B3LYP/6-31G (d) level. The statistical indicators of the model are: the coefficient of determination R2 equals 0.990, the standard deviation S equals 0.209, the Fischer coefficient F equals 153.055 and the cross-validation coefficient equals 0.990. This model has good statistical performances. The quantum descriptors of dipole moment (¦ÌD) and electronic energy are responsible of the anthelminthic activity of benzimidazolylchalcone derivatives. In addition, the dipole moment is the priority descriptor for the prediction of the antibacterial activity of the studied compounds. The Eriksson et al. acceptance criteria used for the test set is verified. The values of the pCL100theo/pCL100exp ratio of the theoretical and experimental activities for the test set aim towards the unit. http://pubs.sciepub.com/jmpc/9/1/2/jmpc-9-1-2.pdf benzimidazolylchalcone Quantum chemistry QSAR Quantum Descriptors Anthelminthical activity