AlgicideDB

AlgicideDB provides a manually curated database of algicidal compounds targeting harmful algal blooms, integrating physicochemical analysis, toxicity evaluation, and large language model-based query assistance to support the development of safe and effective HAB control strategies.

Key Features:

• Manually Curated Database: Contains 1,672 algicidal records on 542 algicides targeting 110 algal species.
• Physicochemical Property Analysis: Analyzes the physicochemical properties of algicidal compounds.
• Algicide-Likeness Scoring Function: Proposes a scoring function to facilitate the exploration of compounds with antialgal properties.
• Acute Toxicity Evaluation: Evaluates acute toxicity of algicidal compounds to non-target aquatic organisms across different trophic levels to assess ecological risks.
• Large Language Model with Retrieval-Augmented Generation: Incorporates an LLM enhanced by RAG to address HAB-related queries and support decision-making.

Scientific Applications:

• Algicide Management: Supports systematic exploration and management of algicidal compounds for harmful algal bloom control.
• Algicide Discovery: Facilitates the identification and exploration of novel compounds with antialgal properties through algicide-likeness scoring.
• Ecological Risk Assessment: Assesses environmental toxicity and ecological risks of algicidal compounds to non-target aquatic organisms.
• HAB Control Strategy Development: Facilitates the development of safe and effective harmful algal bloom control strategies.

Methodology:

Manual curation of algicidal records; physicochemical property analysis; algicide-likeness scoring function development; acute toxicity evaluation across trophic levels; large language model implementation with retrieval-augmented generation.