A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman… - Wiley Interdisciplinary …, 2022 - Wiley Online Library
Research in chemistry increasingly requires interdisciplinary work prompted by, among
other things, advances in computing, machine learning, and artificial intelligence. Everyone …
other things, advances in computing, machine learning, and artificial intelligence. Everyone …
Mapping the landscape of artificial intelligence applications against COVID-19
COVID-19, the disease caused by the SARS-CoV-2 virus, has been declared a pandemic by
the World Health Organization, which has reported over 18 million confirmed cases as of …
the World Health Organization, which has reported over 18 million confirmed cases as of …
[HTML][HTML] Spatially resolved multiomics of human cardiac niches
The function of a cell is defined by its intrinsic characteristics and its niche: the tissue
microenvironment in which it dwells. Here we combine single-cell and spatial …
microenvironment in which it dwells. Here we combine single-cell and spatial …
GPCRdb in 2021: integrating GPCR sequence, structure and function
AJ Kooistra, S Mordalski… - Nucleic Acids …, 2021 - academic.oup.com
G protein-coupled receptors (GPCRs) form both the largest family of membrane proteins and
drug targets, mediating the action of one-third of medicines. The GPCR database, GPCRdb …
drug targets, mediating the action of one-third of medicines. The GPCR database, GPCRdb …
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 …
Therapeutics data commons: Machine learning datasets and tasks for drug discovery and development
Therapeutics machine learning is an emerging field with incredible opportunities for
innovatiaon and impact. However, advancement in this field requires formulation of …
innovatiaon and impact. However, advancement in this field requires formulation of …
Advancing drug discovery via artificial intelligence
Drug discovery and development are among the most important translational science
activities that contribute to human health and wellbeing. However, the development of a new …
activities that contribute to human health and wellbeing. However, the development of a new …
ChEMBL: towards direct deposition of bioassay data
ChEMBL is a large, open-access bioactivity database (https://www. ebi. ac. uk/chembl),
previously described in the 2012, 2014 and 2017 Nucleic Acids Research Database Issues …
previously described in the 2012, 2014 and 2017 Nucleic Acids Research Database Issues …
An updated review of computer‐aided drug design and its application to COVID‐19
The recent outbreak of the deadly coronavirus disease 19 (COVID‐19) pandemic poses
serious health concerns around the world. The lack of approved drugs or vaccines continues …
serious health concerns around the world. The lack of approved drugs or vaccines continues …
The ChEMBL database in 2017
ChEMBL is an open large-scale bioactivity database (https://www. ebi. ac. uk/chembl),
previously described in the 2012 and 2014 Nucleic Acids Research Database Issues. Since …
previously described in the 2012 and 2014 Nucleic Acids Research Database Issues. Since …