Machine learning methods in drug discovery
L Patel, T Shukla, X Huang, DW Ussery, S Wang - Molecules, 2020 - mdpi.com
The advancements of information technology and related processing techniques have
created a fertile base for progress in many scientific fields and industries. In the fields of drug …
created a fertile base for progress in many scientific fields and industries. In the fields of drug …
Mining genomes to illuminate the specialized chemistry of life
All organisms produce specialized organic molecules, ranging from small volatile chemicals
to large gene-encoded peptides, that have evolved to provide them with diverse cellular and …
to large gene-encoded peptides, that have evolved to provide them with diverse cellular and …
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 …
Natural product drug discovery in the artificial intelligence era
FI Saldívar-González, VD Aldas-Bulos… - Chemical …, 2022 - pubs.rsc.org
Natural products (NPs) are primarily recognized as privileged structures to interact with
protein drug targets. Their unique characteristics and structural diversity continue to marvel …
protein drug targets. Their unique characteristics and structural diversity continue to marvel …
Strategies to access biosynthetic novelty in bacterial genomes for drug discovery
F Hemmerling, J Piel - Nature Reviews Drug Discovery, 2022 - nature.com
Bacteria provide a rich source of natural products with potential therapeutic applications,
such as novel antibiotic classes or anticancer drugs. Bioactivity-guided screening of …
such as novel antibiotic classes or anticancer drugs. Bioactivity-guided screening of …
NPClassifier: a deep neural network-based structural classification tool for natural products
Computational approaches such as genome and metabolome mining are becoming
essential to natural products (NPs) research. Consequently, a need exists for an automated …
essential to natural products (NPs) research. Consequently, a need exists for an automated …
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 …
Advances in decomposing complex metabolite mixtures using substructure-and network-based computational metabolomics approaches
Covering: up to the end of 2020 Recently introduced computational metabolome mining
tools have started to positively impact the chemical and biological interpretation of …
tools have started to positively impact the chemical and biological interpretation of …
Marine natural products
Covering: 2020 This review covers the literature published in 2020 for marine natural
products (MNPs), with 757 citations (747 for the period January to December 2020) referring …
products (MNPs), with 757 citations (747 for the period January to December 2020) referring …
Metabolomics and genomics in natural products research: complementary tools for targeting new chemical entities
Covering: 2010 to 2021 Organisms in nature have evolved into proficient synthetic chemists,
utilizing specialized enzymatic machinery to biosynthesize an inspiring diversity of …
utilizing specialized enzymatic machinery to biosynthesize an inspiring diversity of …