The Molecules Gateway: A Homogeneous, Searchable Database of 150k Annotated Molecules from Actinomycetes

Natural products are a sustainable resource for drug discovery, but their identification in complex mixtures remains a daunting task. We present an automated pipeline that compares, harmonizes and ranks the annotations of LC-HRMS data by different tools. When applied to 7,400 extracts derived from 6...

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التفاصيل البيبلوغرافية
المؤلف الرئيسي:	Matteo Simone (1475968) (author)
مؤلفون آخرون:	Marianna Iorio (1475977) (author), Paolo Monciardini (1475971) (author), Massimo Santini (32134) (author), Niccolò Cantù (19950877) (author), Arianna Tocchetti (252368) (author), Stefania Serina (19950880) (author), Cristina Brunati (1475974) (author), Thomas Vernay (19950883) (author), Andrea Gentile (16838135) (author), Mattia Aracne (19950886) (author), Marco Cozzi (19950889) (author), Justin J. J. van der Hooft (6904412) (author), Margherita Sosio (531104) (author), Stefano Donadio (774816) (author), Sonia I. Maffioli (1475965) (author)
منشور في:	2024
الموضوعات:	Biochemistry Genetics Molecular Biology Biotechnology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified yet described metabolites highly interactive access find microbial products complex mixtures remains complements available repositories 86 actinomycete genera 566 strains belonging actinomycetes natural products 400 extracts derived 150k annotated molecules producer strains yielded 150 unreported analogs sustainable resource searchable database molecules gateway metadata related known families identical workflow hrms data global analyses drug discovery different tools daunting task computationally processed calculated data automated pipeline 000 molecules
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The Molecules Gateway: A Homogeneous, Searchable Database of 150k Annotated Molecules from Actinomycetes

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