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Computational Approaches in Preclinical Studies on Drug Discovery and Development
2020
Frontiers in Chemistry
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Because undesirable pharmacokinetics and toxicity are significant reasons for the failure of drug development in the costly late stage, it has been widely recognized that drug ADMET properties should be ...
Then, we perform a systematic classification and description of the databases and software commonly used for ADMET prediction. ...
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Metabolism and Transport
Database
Pharmaco Kinetics
Knowledge Base (PKKB)
TABLE 2 | 2 Some auxiliary databases for ADMET prediction.MetaADEDBFree A comprehensive database of adverse drug reactions ...
doi:10.3389/fchem.2020.00726
pmid:33062633
pmcid:PMC7517894
fatcat:eaowpr56dbccbdpovcpm7t23se
Computational methods for drug design and discovery: focus on China
2013
TIPS - Trends in Pharmacological Sciences
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A copy of this work was available on the public web and has been preserved in the Wayback Machine. The capture dates from 2017; you can also visit the original URL.
The file type is application/pdf.
For each selected method, a short background precedes an assessment of the method with respect to the needs of drug discovery, and, in particular, work from China is highlighted. ...
Application of these methods spans a wide range, from drug target identification to hit discovery and lead optimization. ...
In a recent contribution, they developed a combined database PKKB (PharmacoKinetics Knowledge Base) [72] , collecting structures, pharmacological information, important experimental or predicted physiochemical ...
doi:10.1016/j.tips.2013.08.004
pmid:24035675
pmcid:PMC7126378
fatcat:beegy5gxh5ex5nv2kablrzzqb4