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ADMET stands for Absorption, Distribution, Metabolism, Excretion and Toxicity. The prediction of the ADMET properties plays an important role in the drug design process because these properties account for the failure of about 60% of all drugs in the clinical phases.
ADMETlab: a user-friendly, freely available web interface for systematic ADMET evaluation of chemical compounds based on a comprehensive database.
Dec 1, 2022 · The absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are important in drug discovery as they define efficacy and safety. In this work, we applied an ensemble of features, including fingerprints and descriptors, and a tree-based machine learning model, extreme gradient boosting, for accurate ADMET prediction.
Apr 24, 2021 · Currently, there are many online prediction servers for the evaluation of certain ADMET parameters, such as SuperCYPsPred for cytochrome activity prediction, eMolTox for potential toxicity prediction, ChemAGG for colloidal aggregators identification, etc.
Jul 1, 2023 · This review provides an overview of 13 online tools that can be used to predict the ADMET profile of a compound, with a special focus on the properties such as lipophilicity, aqueous solubility, hERG inhibition, blood–brain barrier permeability, Caco-2 permeability, human intestinal absorption, and Ames mutagenicity.
Mar 29, 2022 · ProTox-II is a free web server to assess the various toxicity of chemicals, such as acute toxicity, cytotoxicity, hepatotoxicity (H-HT), carcinogenicity, immunotoxicity, mutagenicity, adverse outcomes pathways (Tox21) and toxicity targets, based on 33 predictive machine-learning (ML) models (Banerjee et al., 2018).
Jan 1, 2002 · The Pharmacology prediction of hispidin confirm that it is not toxic, non‐carcinogenesis with a good human intestinal absorption.
