Network pharmacology-based prediction of the active ingredients and potential targets of Chinese herbal Radix Curcumae formula for application to cardiovascular …

W Tao, X Xu, X Wang, B Li, Y Wang, Y Li… - Journal of …, 2013 - Elsevier
ETHNOPHARMACOLOGY RELEVANCE: Cardiovascular and cerebrovascular diseases
(CCVD), an abnormal function of the heart, brain or blood vessels, are the biggest cause of …

In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling

S Ekins, J Mestres, B Testa - British journal of pharmacology, 2007 - Wiley Online Library
Pharmacology over the past 100 years has had a rich tradition of scientists with the ability to
form qualitative or semi‐quantitative relations between molecular structure and activity in …

Comparison of deep learning with multiple machine learning methods and metrics using diverse drug discovery data sets

A Korotcov, V Tkachenko, DP Russo… - Molecular …, 2017 - ACS Publications
Machine learning methods have been applied to many data sets in pharmaceutical research
for several decades. The relative ease and availability of fingerprint type molecular …

Toxicity testing in the 21st century: a vision and a strategy

D Krewski, D Acosta Jr, M Andersen… - Journal of Toxicology …, 2010 - Taylor & Francis
With the release of the landmark report Toxicity Testing in the 21st Century: A Vision and a
Strategy, the US National Academy of Sciences, in 2007, precipitated a major change in the …

[图书][B] Toxicity testing in the 21st century: a vision and a strategy

National Research Council, Life Studies… - 2007 - books.google.com
Advances in molecular biology and toxicology are paving the way for major improvements in
the evaluation of the hazards posed by the large number of chemicals found at low levels in …

In silico pharmacology for drug discovery: applications to targets and beyond

S Ekins, J Mestres, B Testa - British journal of pharmacology, 2007 - Wiley Online Library
Computational (in silico) methods have been developed and widely applied to
pharmacology hypothesis development and testing. These in silico methods include …

The future of drug safety testing: expanding the view and narrowing the focus

JL Stevens, TK Baker - Drug discovery today, 2009 - Elsevier
Drug safety remains a high profile issue at a time when the cost and time required to
develop a new drug are at an all time high. Balancing risk against the expected clinical …

A framework for assessing inter-individual variability in pharmacokinetics using virtual human populations and integrating general knowledge of physical chemistry …

M Jamei, GL Dickinson… - Drug metabolism and …, 2009 - jstage.jst.go.jp
An increasing number of failures in clinical stages of drug development have been related to
the effects of candidate drugs in a sub-group of patients rather than theaverage'person …

In silico toxicology for the pharmaceutical sciences

LG Valerio Jr - Toxicology and applied pharmacology, 2009 - Elsevier
The applied use of in silico technologies (aka computational toxicology, in silico toxicology,
computer-assisted tox, e-tox, i-drug discovery, predictive ADME, etc.) for predicting …

In silico repositioning of approved drugs for rare and neglected diseases

S Ekins, AJ Williams, MD Krasowski, JS Freundlich - Drug discovery today, 2011 - Elsevier
One approach to speed up drug discovery is to examine new uses for existing approved
drugs, so-called 'drug repositioning'or 'drug repurposing', which has become increasingly …