| Comparative Analysis of AI Models and Reaxys Database in Trichloroisocyanuric Acid Synthesis |
| کد مقاله : 1365-ICOC |
| نویسندگان |
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سعید ایرانپور *1، رامین حسنان2 1دانشگاه تهران، جهاد دانشگاهی 2اداره آموزش و پرورش منطقه 8 |
| چکیده مقاله |
| Trichloroisocyanuric acid (TCCA) is a widely used chlorinated compound with extensive applications in chemical and sanitary industries, including water disinfection, bleaching, and surface sterilization. In organic chemistry, it serves as a mild chlorinating and oxidizing agent of considerable utility. This study aims to analyze and compare the synthesis routes of TCCA using two artificial intelligence models—ChatGPT and DeepSeek—alongside the Reaxys chemical database. Searches were conducted in all three sources using the identical keyword “synthesis of trichloroisocyanuric acid” to ensure consistency and allow comparative evaluation of data accuracy, analytical depth, and descriptive clarity. The findings revealed that Reaxys, being comprehensive, well-documented, and reliable—with advanced filtering capabilities based on yield, publication year, and document type (patent or article)—acts as the definitive and gold-standard source for verifying or refuting AI-generated information. None of the AI models can yet replace its precision and dependability. Conversely, ChatGPT and DeepSeek demonstrated superior ability in providing plain-language explanations, connecting underlying concepts, and summarizing synthetic pathways in a concise and integrative manner. They also tended to present more practical or industrially oriented insights, though their outcomes were highly dependent on prompt formulation. The comparative analysis concludes that combining Reaxys’s data-driven rigor with the conceptual and interpretive flexibility of AI systems can significantly enhance the design and optimization of synthetic routes in organic chemistry. |
| کلیدواژه ها |
| Trichloroisocyanuric acid, TCCA synthesis, ChatGPT, DeepSeek, Reaxys database, AI in chemistry, organic synthesis, chlorinating agents, |
| وضعیت: پذیرفته شده |