PDAI: A green pesticide molecule design technology platform driven by high-performance computing and artificial intelligence
Ziling Zhu, Mengzhu Jia, Xiuli Hou, Fan Wang
Abstract
Pesticides are integral to agricultural productivity and food security. Despite the notable advancements in Computer Aided Drug Design (CADD) and Artificial Intelligence Drug Discovery (AIDD) in pharmaceuticals, their application in the pesticide sector remains underutilized. The complexity and non-user-friendly interfaces of these technologies have impeded their adoption by non-specialists, reducing their influence on pesticide creation. To overcome these obstacles, the Pesticide Discovery Artificial Intelligence (PDAI), a pioneering platform specifically tailored for the molecular design of pesticides would be a very useful tool. PDAI streamlines the innovation process, from target identification to the generation of viable pesticide candidates, optimizing key steps and simplifying the overall design workflow. This user-friendly platform significantly reduces the barriers for non-specialists, making the pesticide design process more accessible and cost-effective. Its innovative strategy promotes interdisciplinary cooperation and accessibility, inviting a broader community to advance pesticide research. For more comprehensive information of PDAI, please click on the website https://digitalpesticide.com . • PDAI is the first green pesticide molecular design technology platform. • It is a platform combines high performance computing and artificial intelligence. • It streamlines innovation from target to viable pesticide candidates, optimizing steps and simplifying workflow.