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Cheminformatics and molecular modeling
Cheminformatics, 2004AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Paul Verwer, Frank J. J. Leusen
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Cheminformatic Tools for Medicinal Chemists
Journal of Medicinal Chemistry, 2010IntroductionCheminformatics can be broadly described as any attempttousechemicalinformationtoinfertherelationshipsbetweenor attributes of chemical structures. From a drug discoveryperspective, cheminformatic principles can be applied fromthe earliest stages of lead discovery (e.g., chemical similarityand library design) to lead optimization (e.g., QSAR
Steven W, Muchmore +3 more
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Using Cheminformatics in Drug Discovery
2015This chapter illustrates how cheminformatics can be applied to designing novel compounds that are active at the primary target and have good predicted ADMET properties. Examples of various cheminformatics techniques are illustrated in the process of designing inhibitors that inhibit both cyclooxygenase isoforms but are more potent toward COX-2.
Michael S, Lawless +3 more
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Cheminformatics Explorations of Natural Products
2019The chemistry of natural products is fascinating and has continuously attracted the attention of the scientific community for many reasons including, but not limited to, biosynthesis pathways, chemical diversity, the source of bioactive compounds and their marked impact on drug discovery.
Fernando D, Prieto-Martínez +2 more
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Presentation to NAMs Training Workshop on April 24-25, 2024 in Durham, NCScience Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=& ...
Martin, Todd, Williams, Antony
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Martin, Todd, Williams, Antony
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Advancement in Microbial Cheminformatics
Current Topics in Medicinal Chemistry, 2019Anuraj, Nayarisseri +1 more
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Teaching Cheminformatics through a Collaborative Intercollegiate Online Chemistry Course (OLCC)
Journal of Chemical Education, 2021Sunghwan Kim +2 more
exaly
Cheminformatics Analysis Modules
Presentation to NAMs Training Workshop on April 24-25, 2024 in Durham, NCScience Inventory, CCTE products: https://cfpub.epa.gov/si/si_public_search_results.cfm?advSearch=true&showCriteria=2&keyword=CCTE&TIMSType=&TIMSSubTypeID=&epaNumber=&ombCat=Any&dateBeginPublishedPresented=07/01/2017&dateEndPublishedPresented=& ...openaire +1 more source
Cheminformatics in Natural Product‐based Drug Discovery
Molecular Informatics, 2020Ya Chen, Johannes Kirchmair
exaly