admet-prediction
Predict comprehensive ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) properties for drug candidate molecules using GraphMVP ensemble models. Use this skill when: (1) Predicting blood-brain barrier penetration, (2) Assessing side effect profiles, (3) Estimating Caco-2 permeability, half-life, or LD50 toxicity, (4) Evaluating drug-likeness and safety of molecules.
Installation and usage
Predict comprehensive ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) properties for drug candidate molecules using GraphMVP ensemble models. Use this skill when: (1) Predicting blood-brain barrier penetration, (2) Assessing side effect profiles, (3) Estimating Caco-2 permeability, half-life, or LD50 toxicity, (4) Evaluating drug-likeness and safety of molecules.
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use admet-prediction