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 …
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 …
The Natural Products Atlas 2.0: a database of microbially-derived natural products
JA van Santen, EF Poynton, D Iskakova… - Nucleic acids …, 2022 - academic.oup.com
Within the natural products field there is an increasing emphasis on the study of compounds
from microbial sources. This has been fuelled by interest in the central role that …
from microbial sources. This has been fuelled by interest in the central role that …
High-confidence structural annotation of metabolites absent from spectral libraries
MA Hoffmann, LF Nothias, M Ludwig… - Nature …, 2022 - nature.com
Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but,
typically, only a small fraction of spectra can be matched. Previous in silico methods search …
typically, only a small fraction of spectra can be matched. Previous in silico methods search …
Standardized multi-omics of Earth's microbiomes reveals microbial and metabolite diversity
Despite advances in sequencing, lack of standardization makes comparisons across studies
challenging and hampers insights into the structure and function of microbial communities …
challenging and hampers insights into the structure and function of microbial communities …
COCONUT online: collection of open natural products database
Natural products (NPs) are small molecules produced by living organisms with potential
applications in pharmacology and other industries as many of them are bioactive. This …
applications in pharmacology and other industries as many of them are bioactive. This …
IMPPAT 2.0: An enhanced and expanded phytochemical atlas of Indian medicinal plants
Compilation, curation, digitization, and exploration of the phytochemical space of Indian
medicinal plants can expedite ongoing efforts toward natural product and traditional …
medicinal plants can expedite ongoing efforts toward natural product and traditional …
MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra
F Huber, S van der Burg, JJJ van der Hooft… - Journal of …, 2021 - Springer
Mass spectrometry data is one of the key sources of information in many workflows in
medicine and across the life sciences. Mass fragmentation spectra are generally considered …
medicine and across the life sciences. Mass fragmentation spectra are generally considered …
Integrative omics approaches for biosynthetic pathway discovery in plants
Covering: up to 2022 With the emergence of large amounts of omics data, computational
approaches for the identification of plant natural product biosynthetic pathways and their …
approaches for the identification of plant natural product biosynthetic pathways and their …
Annotating metabolite mass spectra with domain-inspired chemical formula transformers
Metabolomics studies have identified small molecules that mediate cell signaling,
competition and disease pathology, in part due to large-scale community efforts to measure …
competition and disease pathology, in part due to large-scale community efforts to measure …