MicotoXilico

MicotoXilico predicts mutagenicity, genotoxicity, and carcinogenicity of mycotoxins using QSAR models and a curated database of 4,360 mycotoxins across 170 groups to support in silico toxicological assessment.

Key Features:

• Extensive Mycotoxin Database: MicotoXilico contains a curated collection of 4,360 mycotoxins classified into 170 distinct groups for structure-based analyses.
• Quantitative Structure-Activity Relationship (QSAR) Models: Employs QSAR models tailored to predict mutagenicity, genotoxicity, and carcinogenicity with reported high accuracy, precision, sensitivity, and specificity.
• Regulatory Compliance: QSAR models adhere to OECD regulatory criteria enabling use in regulatory contexts.

Scientific Applications:

• Research: Screening non-regulated mycotoxins for potential toxicological effects to prioritize compounds for experimental follow-up.
• Industry: Assessing mycotoxin-related risk in food products to inform safety evaluations.
• Regulatory Agencies: Providing preliminary in silico screening to support regulatory decision-making and monitoring priorities.

Methodology:

Uses a curated mycotoxin database (4,360 compounds, 170 groups) and QSAR modeling validated under OECD criteria to perform in silico predictions of mutagenicity, genotoxicity, and carcinogenicity.