Rediscovering the sweet spot in drug discovery

D Brown, G Superti-Furga - Drug discovery today, 2003 - Elsevier
Advances over the past decade in drug discovery technologies have not yet led to an
increase in productivity. We analyzed the reasons that have led to this juncture and identify …

Pharmacogenomic biomarkers: new tools in current and future drug therapy

SC Sim, M Ingelman-Sundberg - Trends in pharmacological sciences, 2011 - cell.com
The rapid development of techniques in the area of genome analysis has facilitated
identification of new pharmacogenomic biomarkers that can provide predictive tools for …

Pharmacogenomic analysis: correlating molecular substructure classes with microarray gene expression data

PE Blower, C Yang, MA Fligner, JS Verducci… - The …, 2002 - nature.com
Genomic studies are producing large databases of molecular information on cancers and
other cell and tissue types. Hence, we have the opportunity to link these accumulating data …

Challenges for biomedical informatics and pharmacogenomics

RB Altman, TE Klein - Annual review of pharmacology and …, 2002 - annualreviews.org
Pharmacogenomics requires the integration and analysis of genomic, molecular, cellular,
and clinical data, and it thus offers a remarkable set of challenges to biomedical informatics …

Computational prediction of drug–target interactions using chemogenomic approaches: an empirical survey

A Ezzat, M Wu, XL Li, CK Kwoh - Briefings in bioinformatics, 2019 - academic.oup.com
Computational prediction of drug–target interactions (DTIs) has become an essential task in
the drug discovery process. It narrows down the search space for interactions by suggesting …

PharmacoGx: an R package for analysis of large pharmacogenomic datasets

P Smirnov, Z Safikhani, N El-Hachem, D Wang… - …, 2016 - academic.oup.com
Pharmacogenomics holds great promise for the development of biomarkers of drug
response and the design of new therapeutic options, which are key challenges in precision …

Predicting drug–target interaction for new drugs using enhanced similarity measures and super-target clustering

JY Shi, SM Yiu, Y Li, HCM Leung, FYL Chin - Methods, 2015 - Elsevier
Predicting drug–target interaction using computational approaches is an important step in
drug discovery and repositioning. To predict whether there will be an interaction between a …

Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data

S Muresan, P Petrov, C Southan, MJ Kjellberg… - Drug Discovery …, 2011 - Elsevier
The increase in drug research output from patent applications, together with the expansion
of public data collections, such as ChEMBL and PubChem BioAssay, has made it essential …

Genome scale enzyme–metabolite and drug–target interaction predictions using the signature molecular descriptor

JL Faulon, M Misra, S Martin, K Sale, R Sapra - Bioinformatics, 2008 - academic.oup.com
Motivation: Identifying protein enzymatic or pharmacological activities are important areas of
research in biology and chemistry. Biological and chemical databases are increasingly …

Open Targets: a platform for therapeutic target identification and validation

G Koscielny, P An, D Carvalho-Silva… - Nucleic acids …, 2017 - academic.oup.com
We have designed and developed a data integration and visualization platform that provides
evidence about the association of known and potential drug targets with diseases. The …