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MetabolomicsPantothenate biosynthesis is critical for chronic infection by the neurotropic parasite Toxoplasma gondii
Coenzyme A (CoA) is an essential molecule acting in metabolism, post-translational modification, and regulation of gene expression. While all organisms synthesize CoA, many, including humans, are unable to produce its precursor, pantothenate. Intriguingly, like most plants, fungi and bacteria, paras...
2022-03-21 | MTBLS2501 | MetaboLights
ModelsWong2024 - Discovery of a structural class of antibiotics with explainable deep learning
The authors use a large dataset (>30k) to train an explainable graph-based model to identify potential antibiotics with low cytotoxicity. The model uses a substructure-based approach to explore the chemical space. Using this method, they were able to screen 283 compounds and identify a candidate act...
2024-05-08 | MODEL2405080002 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ModelsWong2024 - Cytotoxicity Prediction from Human Cell Lines
The authors use a large dataset (>30k) to train an explainable graph-based model to identify potential antibiotics with low cytotoxicity. The model uses a substructure-based approach to explore the chemical space. Using this method, they were able to screen 283 compounds and identify a candidate act...
2024-05-13 | MODEL2405130002 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
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