IDENTIFYING DRIVERS OF MOLECULE TOXICITY USING TOXICITY ANALYSIS TREES
Dossier Overview
Applicant
AXIOMBIO, INC.
Inventor
Brandon White; Alexander Bremner Upjohn Beatson; Katherine Lynn Titterton; Daniil Boiko; Ángel Alexander Cabrera; Alex Tim Bäuerle
IPC Classification
CPC Classification
Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for predicting toxicity of a molecule. In one aspect, a method comprises: obtaining data identifying an input molecule; generating data defining a toxicity analysis tree for the input molecule; and processing the toxicity analysis tree to generate a respective toxicity score for each of a plurality of molecule fragments in the input molecule that characterizes an impact of the molecule fragment on a toxicity of the input molecule.
Original (Chinese)
Methods, systems, and apparatus, including computer programs encoded on a computer storage medium, for predicting toxicity of a molecule. In one aspect, a method comprises: obtaining data identifying an input molecule; generating data defining a toxicity analysis tree for the input molecule; and processing the toxicity analysis tree to generate a respective toxicity score for each of a plurality of molecule fragments in the input molecule that characterizes an impact of the molecule fragment on a toxicity of the input molecule.
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