admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
By Feixiong Cheng, Weihua Li, Yadi Zhou, Jie Shen, Zengrui Wu, Guixia Liu, Philip W. Lee, Yun Tang. Journal of Chemical Information and Modeling, 2012
1,969 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Molecular Biology, Pharmacology
View Paper: https://www.semanticscholar.org/paper/a0b7a77b480fdff0fc163a4801d3a737ad55949f
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In Computational Theory and Mathematics
- David B. Ascher
- Douglas E. V. Pires
- David S. Wishart
- Mathias Dunkel
- Priyanka Banerjee
- Robert Preissner
- Yifeng Liu
- Rohan Gupta
In Molecular Biology
- David S. Wishart
- David B. Ascher
- Douglas E. V. Pires
- Beomsoo Han
- Anchi Guo
- Craig Knox
- Tom L. Blundell
- Yifeng Liu
In Pharmacology
Citations in the corpus
- ProTox-II: a webserver for the prediction of toxicity of chemicals (2018, methodology): “Additionally, webservers partially freely available for the community such as the AdmetSAR which includes different types of prediction models based on QSAR methods has also been beneficial for the community (13).”
- SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules (2017, neutral): “Moreover, some SVM models were published with small training and test sets (P-gp of refs 15 and 57), which imply questionable capacity of generalization and broadness of applicability domains.”
- Artificial intelligence to deep learning: machine intelligence approach for drug discovery (2021, methodology): “For this different web-based tools have been developed such as LimTox (http:// limtox. bioin fo. cnio. es/) [321], pkCSM (http:// biosig. unime lb. edu. au/ pkcsm/) [322], admetSAR (http:// lmmd. ecust. edu. cn/ admet sar2/) [323], and Toxtree (http:// toxtr ee. sourc eforge. net/) [324].”
- Computational Approaches in Preclinical Studies on Drug Discovery and Development (2020, methodology): “AdmetSAR is a free and comprehensive tool for ADMET property prediction (Cheng F. et al., 2012).”
- Structural basis of SARS-CoV-2 3CLpro and anti-COVID-19 drug discovery from medicinal plants (2020, positive): “The qualitative assessment of absorption, deposition, metabolism, excretion and toxicity (ADMET) profile of these hits were predicted virtually by using ADMETsar server [25].”
- ProTox: a web server for the in silico prediction of rodent oral toxicity (2014, background): “Environmental Protection Agency or the web server AdmetSAR which includes a variety of ADMET prediction models (9).”
- pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures (2015, background): “Fluorine atom Count Integer Toxicophore [1-36]c Binary vector Pharmacophore countd Integer vector a Topological polar surface area(23).”
- ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database (2018, background): “admetSAR [42] Free No Number: 27 Contents: B, A, D, M, E, T Yes (210,000 entries) No No Yes No”
- DrugBank 4.0: shedding new light on drug metabolism (2013, methodology): “However, by taking advantage of several recently released software packages for predicting ADMET properties (14) and mining newly published ADMET surveys (15,16), it has been possible to add 30 more ADMET data fields to nearly all of DrugBank’s drug entries.”