Sentence examples for information of compound from inspiring English sources
Additionally, data come from different data domains, e.g. spaceless numeric information about the metabolome, transcriptome and proteome (so-called *omics data), spatial information of compound distribution and structural information (e.g. pathways or bidirectional protein interactions).
The main reason is that the confidence score of an interaction between two compounds, which was used in the method based on chemical interactions, contains different kinds of information of compounds, such as their activities, structures, reactions, and so forth [ 18], while the method based on chemical similarities only used the information of compound structures.
ChemIDPlus focus more on molecular and structural information of compounds.
ChemSpider is a chemical database containing information of compounds gathered from over 500 different data sources [20].
We constructed a human PXR (hPXR) pharmacophore model based on known structural information of compounds that activate PXR.
The workflow described in this study aims to make this decision-making process easier by combining the structural and biological information of compounds used in an HTS.
The enriched biological activity information of compounds in large and freely-accessible chemical databases like the PubChem Bioassay Database has become a powerful research resource for the scientific research community.
The novel series of substituted 2′-anilino-4,4′-bipyridines were designed based on a combination of hits from high throughput screening and X-ray crystal structure information of compounds crystallized into the JNK3 ATP binding active site.
Bioactivity information of compounds tested in each of the biological assays considered was retrieved from the PubChem BioAssay database [4] and used to construct Set A. The construction of Set B requires knowledge of the protein targets of the assays considered.
From Sections 3.1– 3.3, the ChEBI ontology information of compounds connects strongly with their targets' information.
MESSI incorporated information of compounds, pathways and genes and their relationships from KEGG database using KEGG API REST.
