G4-mtQSAR

The project involved creating multitarget-multitasking QSAR model development to predict the G4-quadruplex oriented liagnd propeties namely; G4-selectivity, G4-interaction, G4-stabilization, and cyrtotoxicity. The developed models are deployed for screening purposes in the form of a web-based tool 'G4-QuadScreen' that is available at https://chemopredictionsuite.com/
Few multitarget directed ligands against quadruplexes are reported here after virtual screenig, biophysical evaluation, and cell based evaluation.

该项目涉及构建多目标多任务QSAR模型，以预测G4-四链结构导向配体的性质，包括G4选择性、G4相互作用、G4稳定性和细胞毒性。所开发的模型已部署为基于网络的工具'G4-QuadScreen'，用于筛选目的，该工具可在https://chemopredictionsuite.com/访问。在此，经过虚拟筛选、生物物理评估和基于细胞的评估后，报道了少数针对四链结构的定向配体。