Developments in computational omics technologies have provided new means to access
the hidden diversity of natural products, unearthing new potential for drug discovery. In …

Abstract Knowledge of the underpinnings of cancer initiation, progression and metastasis
has increased exponentially in recent years. Advanced “omics” coupled with machine …

Activity and property prediction models are the central workhorses in drug discovery and
materials sciences, but currently, they have to be trained or fine-tuned for new tasks. Without …

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 …

Abstract PubChem (https://pubchem. ncbi. nlm. nih. gov) is a popular chemical information
resource that serves a wide range of use cases. In the past two years, a number of changes …

ChEMBL is an open large-scale bioactivity database (https://www. ebi. ac. uk/chembl),
previously described in the 2012 Nucleic Acids Research Database Issue. Since then, a …

Efficient access to chemical information contained in scientific literature, patents, technical
reports, or the web is a pressing need shared by researchers and patent attorneys from …

PubChem's BioAssay database (https://pubchem. ncbi. nlm. nih. gov) has served as a public
repository for small-molecule and RNAi screening data since 2004 providing open access of …

Combinatorial therapies that target multiple pathways have shown great promises for
treating complex diseases. DrugComb (https://drugcomb. org/) is a web-based portal for the …

Evidence-based dietary information represented as unstructured text is a crucial information
that needs to be accessed in order to help dietitians follow the new knowledge arrives daily …