AlgicideDB: a comprehensive database enhanced by large language models for algicide management and discovery

Harmful algal blooms (HABs) are increasing in frequency and intensity worldwide, posing significant threats to aquatic ecosystems, fisheries, and human health. While chemical algicides are widely used for HABs control due to their rapid efficacy, the lack of systematic data integration and concerns over environmental toxicity limit their broader application. To address these challenges, we developed AlgicideDB, a manually curated database containing 1,672 algicidal records on 542 algicides targeting 110 algal species. Using this database, we analyzed the physicochemical properties of algicides and proposed an algicide-likeness scoring function to facilitate the exploration of compounds with antialgal properties. Additionally, we evaluated the acute toxicity of algicidal compounds to non-target aquatic organisms of different trophic levels to assess their ecological risks. The platform also incorporates a large language model (LLM) enhanced by retrieval-augmented generation (RAG) to address HAB-related queries, supporting decision-making and facilitating knowledge dissemination. AlgicideDB, available at http://algicidedb.ocean-meta.com/#/, serves as an innovative and comprehensive platform to explore algicidal compounds and facilitate the development of safe and effective HAB control strategies.