The integration of artificial intelligence (AI) and data science (DS) is said to be transforming sustainable development by enabling data-driven decision-making, optimizing resource management and enhancing problem-solving efficiency. Therefore, the objectives of this study were to: assess the level of awareness and adoption of AI and DS for sustainable development in Edo State, Nigeria; identify key areas where AI and DS are making significant impacts; and, thirdly, to evaluate the challenges hindering their effective utilization. This paper applied the diffusion of innovation theory to examine how AI and DS are being adopted for sustainable development initiatives. The study employed a mixed-methods approach, combining quantitative and qualitative research methods. Findings indicate that the awareness and adoption level of AI and DS for sustainable development in Edo State, Nigeria is low; also, AI and DS, though not adequately utilized, but are increasingly used in environmental monitoring, smart agriculture, healthcare and urban planning, contributing to enhanced efficiency and sustainability. However, challenges such as limited technical expertise, inadequate infrastructure, and data privacy concerns impede broader adoption. The study concluded that AI and DS have immense potential to drive sustainable development, but require strategic policy frameworks and capacity building. It recommended investment in digital infrastructure, AI education, and cross-sector collaborations to maximize their impact. Policymakers, educators and industry stakeholders must also work together to foster an enabling environment for AI and DS-driven sustainability