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A toolchain for artificial intelligence applications in computational toxicology. ComptoxAI provides a number of interconnected components, including a large heterogeneous graph database of toxicology concepts, an OWL ontology for computational toxicology, a gallery of graph machine learning models, and informational/educational resources.
An extension to TPOT (a Python tool for optimizing machine learning pipelines using genetic programming) that adds support for PyTorch neural network models.
A knowledge base and collection of related tools for computational venom research, particularly for the purpose of discovering new therapeutic effects of venom-derived peptides.
An OWL ontology used to structure and perform automated reasoning on VenomKB, enabling advanced computational queries of venom data and discovery of previously unknown therapeutic associations between venoms and human diseases.