ArticleFuture medicinal chemistry2012
Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software.
Article in Future medicinal chemistry, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
13 citing papers in PubMed.
- Phytochemical and Computational Discovery of Potent Xanthine Oxidase Inhibitors From Ziziphus lotus L. Leaves and Seeds.Chemistry & biodiversity · 2026Article
- Advancing the science of a read-across framework for evaluation of data-poor chemicals incorporating systematic and new approach methods.Regulatory toxicology and pharmacology : RTP · 2023Article
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- Computational prediction of small molecules with predicted binding to FGFR3 and testing biological effects in bone cells.Experimental biology and medicine (Maywood, N.J.) · 2021Article
- Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications.Journal of medicinal chemistry · 2020Article
- Computer-Aided Estimation of Biological Activity Profiles of Drug-Like Compounds Taking into Account Their Metabolism in Human Body.International journal of molecular sciences · 2020Article
- Application and Impact of Human Dose Projection from Discovery to Early Drug Development.AAPS PharmSciTech · 2020Review
- Scaffold-hopping as a strategy to address metabolic liabilities of aromatic compounds.RSC medicinal chemistry · 2020Review
- Prediction of UGT-mediated Metabolism Using the Manually Curated MetaQSAR Database.ACS medicinal chemistry letters · 2019Article
- Review
- Prediction of pharmacokinetic and toxicological parameters of a 4-phenylcoumarin isolated from geopropolis: In silico and in vitro approaches.Toxicology letters · 2016Article
- Efficient searching and annotation of metabolic networks using chemical similarity.Bioinformatics (Oxford, England) · 2015Article
- Computational tools and resources for metabolism-related property predictions. 2. Application to prediction of half-life time in human liver microsomes.Future medicinal chemistry · 2012Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
Metabolism has been identified as a defining factor in drug development success or failure because of its impact on many aspects of drug pharmacology, including bioavailability, half-life and toxicity. In this article, we provide an outline and descriptions of the resources for metabolism-related property predictions that are currently either freely or commercially available to the public. These resources include databases with data on, and software for prediction of, several end points: metabolite formation, sites of metabolic transformation, binding to metabolizing enzymes and metabolic stability. We attempt to place each tool in historical context and describe, wherever possible, the data it was based on. For predictions of interactions with metabolizing enzymes, we show a typical set of results for a small test set of compounds. Our aim is to give a clear overview of the areas and aspects of metabolism prediction in which the currently available resources are useful and accurate, and the areas in which they are inadequate or missing entirely.
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