Big data in chemical toxicity research: the use of high-throughput screening assays to identify potential toxicants
High-throughput screening (HTS) assays that measure the in vitro toxicity of environmental
compounds have been widely applied as an alternative to in vivo animal tests of chemical …
compounds have been widely applied as an alternative to in vivo animal tests of chemical …
[HTML][HTML] Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery
DB Kell, R Goodacre - Drug Discovery Today, 2014 - Elsevier
Highlights•We now have metabolic network models; the metabolome is represented by their
nodes.•Metabolite levels are sensitive to changes in enzyme activities.•Drugs hitchhike on …
nodes.•Metabolite levels are sensitive to changes in enzyme activities.•Drugs hitchhike on …
ChemProt-3.0: a global chemical biology diseases mapping
ChemProt is a publicly available compilation of chemical-protein-disease annotation
resources that enables the study of systems pharmacology for a small molecule across …
resources that enables the study of systems pharmacology for a small molecule across …
Assessing drug target association using semantic linked data
The rapidly increasing amount of public data in chemistry and biology provides new
opportunities for large-scale data mining for drug discovery. Systematic integration of these …
opportunities for large-scale data mining for drug discovery. Systematic integration of these …
Predicting drug target interactions using meta-path-based semantic network analysis
Background In the context of drug discovery, drug target interactions (DTIs) can be predicted
based on observed topological features of a semantic network across the chemical and …
based on observed topological features of a semantic network across the chemical and …
The promiscuous binding of pharmaceutical drugs and their transporter-mediated uptake into cells: what we (need to) know and how we can do so
A recent paper in this journal sought to counter evidence for the role of transport proteins in
effecting drug uptake into cells, and questions that transporters can recognize drug …
effecting drug uptake into cells, and questions that transporters can recognize drug …
PubChemRDF: towards the semantic annotation of PubChem compound and substance databases
Background PubChem is an open repository for chemical structures, biological activities and
biomedical annotations. Semantic Web technologies are emerging as an increasingly …
biomedical annotations. Semantic Web technologies are emerging as an increasingly …
Modern bioinformatics meets traditional Chinese medicine
P Gu, H Chen - Briefings in Bioinformatics, 2014 - academic.oup.com
Abstract Motivation: Traditional Chinese medicine (TCM) is gaining increasing attention with
the emergence of integrative medicine and personalized medicine, characterized by pattern …
the emergence of integrative medicine and personalized medicine, characterized by pattern …
Optimizing drug–target interaction prediction based on random walk on heterogeneous networks
Background Predicting novel drug–target associations is important not only for developing
new drugs, but also for furthering biological knowledge by understanding how drugs work …
new drugs, but also for furthering biological knowledge by understanding how drugs work …
One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade
BO Villoutreix, D Lagorce, CM Labbe, O Sperandio… - Drug Discovery …, 2013 - Elsevier
Highlights•There are many in silico resources and databases that can assist drug discovery;
yet it is almost impossible to track all these new services.•We provide a comprehensive list of …
yet it is almost impossible to track all these new services.•We provide a comprehensive list of …