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README.md
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## Key Definitions
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| Term | Definition |
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| **System** | Refers to the *Emerging
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| **User** | Anyone authorized to use the functions of this system |
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| **IUPAC Name** | A systematic naming convention formulated by IUPAC for accurately describing the composition and structure of chemical substances |
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| **AI Agent** | A system based on large language models (LLMs) that understands user intentions and invokes multiple tools to solve complex tasks; in this system, it accepts IUPAC names of emerging contaminants and outputs usage classification, toxicity endpoints, and AC50 values |
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| **Pubchemlite_exposomics Database** | An open-source organic molecule information database derived from PubChem, applicable for mass spectrometry analysis and non-targeted identification of unknown pollutants |
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| **Invitrodb_v4.3 Database** | The core database of US EPA ToxCast, storing a large amount of biological activity data, analysis workflows, and metadata of compounds generated by high-throughput screening (HTS) |
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## System Architecture & Components
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### Core Databases Deployment
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The system integrates three core databases with differentiated deployment strategies:
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## Key Definitions
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| Term | Definition |
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|------|------------|
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| **System** | Refers to the *Contaminants of Emerging Concern Annotation Intelligent Agent* |
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| **User** | Anyone authorized to use the functions of this system |
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| **IUPAC Name** | A systematic naming convention formulated by IUPAC for accurately describing the composition and structure of chemical substances |
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| **AI Agent** | A system based on large language models (LLMs) that understands user intentions and invokes multiple tools to solve complex tasks; in this system, it accepts IUPAC names of emerging contaminants and outputs usage classification, toxicity endpoints, and AC50 values |
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| **Pubchemlite_exposomics Database** | An open-source organic molecule information database derived from PubChem, applicable for mass spectrometry analysis and non-targeted identification of unknown pollutants |
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| **Invitrodb_v4.3 Database** | The core database of US EPA ToxCast, storing a large amount of biological activity data, analysis workflows, and metadata of compounds generated by high-throughput screening (HTS) |
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## Quick Start
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1.
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## System Architecture & Components
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### Core Databases Deployment
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The system integrates three core databases with differentiated deployment strategies:
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