Honey bees (Apis mellifera) are vital for economic, viable agriculture and for food safety. Although Plant Protection Products (PPPs) are of undeniable importance in the global agricultural system, these have become potential threats for non-target organisms like pollinators (e.g., honey bees etc.), resulting in the disruption of the ecological balance. In the current work, we have used the 113 PPP analogues to develop a 2D-QSAR model and explored the structural features modulating the toxic effects on honey bees, following the Organization for Economic Co-operation and Development (OECD) guidelines. The extensive validation of the developed model has been performed using internal and external validation metrics to make sure that the model is statistically sound and interpretable enough to be acceptable. The obtained results (R² = 0.666, Q² = 0.594, Q²_F1 = 0.647 and Q²_F2 = 0.646) determine the predictability and reliability of the developed model. This model should be useful for the predictions (acute contact toxicity (LD₅₀)) of the new and untested compounds located inside the applicability domain of the developed model. Moreover, we have performed the in-silico prediction of toxicity against honey bees of a total of 709 compounds obtained from the pesticide properties database (PPDB) using the developed model.

蜜蜂 ( Apis mellifera )) 对经济、可行的农业和食品安全至关重要。尽管植物保护产品（PPP）在全球农业系统中具有不可否认的重要性，但它们已成为传粉媒介（如蜜蜂等）等非目标生物的潜在威胁，导致生态平衡被破坏。在目前的工作中，我们按照经济合作与发展组织 (OECD) 的指导方针，使用 113 个 PPP 类似物开发了 2D-QSAR 模型，并探索了调节蜜蜂毒性作用的结构特征。已使用内部和外部验证指标对已开发模型进行了广泛验证，以确保该模型在统计上是合理的且可解释性足以被接受。得到的结果（R ²= 0.666，Q ² = 0.594，Q ² _F1 = 0.647 和 Q ² _F2 = 0.646）确定了开发模型的可预测性和可靠性。该模型应该对位于已开发模型的适用范围内的新的和未经测试的化合物的预测（急性接触毒性（LD _{50 ））有用。}此外，我们使用开发的模型对从农药特性数据库 (PPDB) 中获得的总共 709 种化合物的蜜蜂毒性进行了计算机预测。