CidalsDB: an AI-empowered platform for anti-pathogen therapeutics research.

ABSTRACT: Computer-aided drug discovery (CADD) is nurtured by late advances in big data analytics and Artificial Intelligence (AI) towards enhanced drug discovery (DD) outcomes. In this context, reliable datasets are of utmost importance. We herein present CidalsDB a novel web server for AI-assisted DD against infectious pathogens, namely Leishmania parasites and Coronaviruses. We performed a literature search on molecules with validated anti-pathogen effects. Then, we consolidated these data with bioassays from PubChem. Finally, we constructed a database to store these datasets and make them accessible and ready-to-use for the scientific community through CidalsDB, a web-based interface. In a second step, we implemented and optimized four machine learning (ML) and three deep learning (DL) algorithm

SUBMITTER: Harigua-Souiai E 

PROVIDER: S-EPMC11605991 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature