Human Cytochrome P450 enzymes (CYP450s) are respon- sible for metabolizing 70%-80% clinically used drugs. Nowadays, machine learning techniques are the mainstay for developing the CYP450s substrate prediction models. Here, we first investigated past ten years published machine learning CYP450s substrate prediction models performance. Then, we introduce our machine learning prediction model CypEGAT.
The Use of Machine Learning in Human Cytochrome P450s Substrate Prediction / Y. Wei, U. Guerrini, I. Eberini. ((Intervento presentato al convegno Labroots Drug Discovery & Development Virtual Event Series tenutosi a Online nel 2025.
The Use of Machine Learning in Human Cytochrome P450s Substrate Prediction
Y. Wei;U. Guerrini;I. Eberini
2025
Abstract
Human Cytochrome P450 enzymes (CYP450s) are respon- sible for metabolizing 70%-80% clinically used drugs. Nowadays, machine learning techniques are the mainstay for developing the CYP450s substrate prediction models. Here, we first investigated past ten years published machine learning CYP450s substrate prediction models performance. Then, we introduce our machine learning prediction model CypEGAT.
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