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A major source of active compounds, natural products from different sources supply a large variety of molecules that have been approved for clinical use or used as the starting points of optimization programs. This book features nine papers (eight full articles and one review paper) written by more than 45 scientists from around the world. These papers illustrate the development and application of a broad range of computational and experimental techniques applied to natural product research. On behalf of the contributors to the book, our hope is that the research presented here contributes to advancements in the field, and encourages multidisciplinary teams, young scientists, and students to further advance in the discovery of pharmacologically-active natural compounds

n/a --- immunoproteasome --- ginsenoside F1 --- visualization --- chemoinformatics --- soil microorganism --- molecular diversity --- web service --- epigenetics --- bioinsecticides --- Tibetan Plateau --- nanoparticles --- Py-GC/MS --- drug discovery --- consensus diversity plot --- chemical data set --- molecular interactions --- curcumin --- similarity maps --- Alzheimer’s disease --- proteasome inhibitors --- cyclodextrin glycosyltransferase (CGTase) --- classification --- squalene --- docking --- molecular docking --- cholestasis --- protein aggregation --- brain diseases --- structure–activity relationship --- flavonoids --- molecular fingerprints --- cyclodextrin glycosyltransferase --- random forest --- multitarget --- natural products --- inflammation --- natural product-likeness --- chemical space --- epi-informatics --- molecular dynamics --- machine learning --- systematic review --- phenylethanoid glycosides --- ?-glucosyl ginsenoside F1 --- alpine grassland --- Calceolaria --- marine diterpenoid --- Parkinson’s disease --- Alzheimer's disease --- structure-activity relationship --- Parkinson's disease

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This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact

Science: general issues --- chemoinformatics --- computational chemistry --- computational methods in medicinal chemistry --- computer-aided-drug design --- drug discovery --- molecular modeling --- web-servers

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This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact

Science: general issues --- chemoinformatics --- computational chemistry --- computational methods in medicinal chemistry --- computer-aided-drug design --- drug discovery --- molecular modeling --- web-servers

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Pure sciences. Natural sciences (general)

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Pure sciences. Natural sciences (general)