Digital Forensic Chemistry: AI in Toxicology and Crime Investigation

Abstract Digital forensic chemistry is changing dramatically with new Artificial Intelligence (AI) technologies and applications, especially in toxicology and crime-scene investigations. This study assesses the various strategies that have AI technologies that will influence forensic drug and toxicological practices with unprecedented accuracy and speed in detecting and identifying toxicants, providing chemical analyses, identifying relevant chemical analyses, and reconstructing crime scenes. AI technologies, such as machine learning and deep neural networks, are being integrated into mass spectrometry, chromatography data assessments, and spectral analysis for the precise identification of narcotics, poisons, and other toxic agents. In addition, AI will also make cases and forensic workflows more efficient, using portable forensic devices, real-time scene decision-making, and predictive toxicology based on phenotypic analyses, such as genetic makeup and metabolic design. This paper also addresses how AI is useful for postmortem examinations, allows global forensic collaboration through centralized databases, and contributes to digital evidence interpretation. However, the increasing use of AI brings with it some fundamental ethical and legal issues, such as algorithmic bias, data privacy, explainability, and admissibility at trial. It is important to ensure transparency, validate outcomes, and ensure fairness with respect to these applications of AI to provide justice and public trust. Based on a systematic literature review, this study shows the potential of AI to transform forensic chemistry, while simultaneously highlighting the need for responsible use based on interdisciplinary collaboration. AI is no longer a luxury but essential for an efficient, accurate, and ethical criminal investigation; therefore, chemistry becomes increasingly complex. The future of forensic chemistry rests on striking the right balance between the novel and ethics.