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Artificial intelligence for natural product drug discovery
Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …
the hidden diversity of natural products, unearthing new potential for drug discovery. In …
[HTML][HTML] NMR and metabolomics—A roadmap for the future
Metabolomics investigates global metabolic alterations associated with chemical, biological,
physiological, or pathological processes. These metabolic changes are measured with …
physiological, or pathological processes. These metabolic changes are measured with …
DrugBank 6.0: the DrugBank knowledgebase for 2024
C Knox, M Wilson, CM Klinger, M Franklin… - Nucleic acids …, 2024 - academic.oup.com
First released in 2006, DrugBank (https://go. drugbank. com) has grown to become the 'gold
standard'knowledge resource for drug, drug–target and related pharmaceutical information …
standard'knowledge resource for drug, drug–target and related pharmaceutical information …
Advanced methods for natural products discovery: bioactivity screening, dereplication, metabolomics profiling, genomic sequencing, databases and informatic tools …
Natural Products (NP) are essential for the discovery of novel drugs and products for
numerous biotechnological applications. The NP discovery process is expensive and time …
numerous biotechnological applications. The NP discovery process is expensive and time …
MiMeDB: the human microbial metabolome database
DS Wishart, E Oler, H Peters, AC Guo… - Nucleic Acids …, 2023 - academic.oup.com
Abstract The Human Microbial Metabolome Database (MiMeDB)(https://mimedb. org) is a
comprehensive, multi-omic, microbiome resource that connects:(i) microbes to microbial …
comprehensive, multi-omic, microbiome resource that connects:(i) microbes to microbial …
CFM-ID 4.0–a web server for accurate MS-based metabolite identification
Abstract The CFM-ID 4.0 web server (https://cfmid. wishartlab. com) is an online tool for
predicting, annotating and interpreting tandem mass (MS/MS) spectra of small molecules. It …
predicting, annotating and interpreting tandem mass (MS/MS) spectra of small molecules. It …
The antimicrobial fibupeptide lugdunin forms water-filled channel structures in lipid membranes
D Ruppelt, MFW Trollmann, T Dema, SN Wirtz… - Nature …, 2024 - nature.com
Recently, a novel cyclo-heptapeptide composed of alternating d, l-amino acids and a unique
thiazolidine heterocycle, called lugdunin, was discovered, which is produced by the nasal …
thiazolidine heterocycle, called lugdunin, was discovered, which is produced by the nasal …
Artificial intelligence in microbial natural product drug discovery: current and emerging role
Covering: up to the end of 2022 Microorganisms are exceptional sources of a wide array of
unique natural products and play a significant role in drug discovery. During the golden era …
unique natural products and play a significant role in drug discovery. During the golden era …
Machine learning-assisted structure annotation of natural products based on MS and NMR data
G Hu, M Qiu - Natural Product Reports, 2023 - pubs.rsc.org
Covering: up to March 2023 Machine learning (ML) has emerged as a popular tool for
analyzing the structures of natural products (NPs). This review presents a summary of the …
analyzing the structures of natural products (NPs). This review presents a summary of the …
BioTransformer 3.0—a web server for accurately predicting metabolic transformation products
DS Wishart, S Tian, D Allen, E Oler… - Nucleic acids …, 2022 - academic.oup.com
Abstract BioTransformer 3.0 (https://biotransformer. ca) is a freely available web server that
supports accurate, rapid and comprehensive in silico metabolism prediction. It combines …
supports accurate, rapid and comprehensive in silico metabolism prediction. It combines …