#admet

Content tagged with "admet"

ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support
2024-07-01 Li Fu, Shaohua Shi, Jiacai Yi, Ningning Wang, Yuanhang He, Zhenxing Wu, Jinfu Peng, Youchao Deng, Wenxuan Wang, Chengkun Wu, Aiping Lyu, Xiangxiang Zeng, Wentao Zhao, Tingjun Hou, Dongsheng Cao Nucleic Acids Research
ADMET Drug Discovery Decision Support API

ADMETlab 3.0 is the second updated version of the web server that provides a comprehensive and efficient platform for evaluating ADMET-related parameters as well as physicochemical properties and medicinal chemistry…

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OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds
2024-04-01 Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Aiping Lu, Chengkun Wu, Yafeng Deng, Changyu Hsieh, Xiangxiang Zeng, Tingjun Hou, Dongsheng Cao Nature Protocols
ADMET Drug Discovery Lead Optimization Web Tool

Lead optimization is a crucial step in drug discovery, aiming to design potential drug candidates from biologically active hits. During lead optimization, active hits undergo modifications to achieve a balance between…

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ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization
2024-03-01 Jiacai Yi, Ziyi Yang, Wentao Zhao, Zhijiang Yang, Xiaochen Zhang, Chengkun Wu, Aiping Lu, Dongsheng Cao Briefings in Bioinformatics
Molecular Optimization Deep Learning Multi-Objective Optimization ADMET

Drug discovery and development constitute a laborious and costly undertaking. The success of a drug hinges not only on good efficacy but also on acceptable ADMET properties. ChemMORT is an automatic ADMET optimization…

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ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021-07-01 Guoli Xiong, Zhenxing Wu, Jiacai Yi, Li Fu, Zhijiang Yang, Changyu Hsieh, Mingzhu Yin, Xiangxiang Zeng, Chengkun Wu, Aiping Lu, Xiang Chen, Tingjun Hou, Dongsheng Cao Nucleic Acids Research
ADMET Property Prediction Drug Discovery

Because undesirable pharmacokinetics and toxicity of candidate compounds are the main reasons for the failure of drug development, it has been widely recognized that ADMET should be evaluated as early as possible. Here,…

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