Computational systems chemical biology

TI Oprea, EE May, A Leitão, A Tropsha - … and Computational Chemical …, 2011 - Springer
There is a critical need for improving the level of chemistry awareness in systems biology.
The data and information related to modulation of genes and proteins by small molecules …

Systems chemical biology

TI Oprea, A Tropsha, JL Faulon, MD Rintoul - Nature chemical biology, 2007 - nature.com
The increasing availability of data related to genes, proteins and their modulation by small
molecules has provided a vast amount of biological information leading to the emergence of …

[图书][B] Cheminformatics and bioinformatics at the interface with systems biology: bridging chemistry and medicine

AC Kaushik, A Mehmood, DQ Wei, S Nawab, S Sahi… - 2023 - books.google.com
The cost of drug development is increasing, and investment returns are decreasing. The
number of drugs approved by FDA is in decline in terms of the number of new molecular …

In silico systems pharmacology to assess Drug's therapeutic and toxic effects

A Aguayo-Orozco, K Audouze, S Brunak… - Current …, 2016 - ingentaconnect.com
For many years, the “one target, one drug” paradigm has been the driving force behind
developments in pharmaceutical research. With the recent advances in molecular biology …

[图书][B] Systems biology: integrative biology and simulation tools

A Prokop, B Csukás - 2013 - books.google.com
Growth in the pharmaceutical market has slowed down–almost to a standstill. One reason is
that governments and other payers are cutting costs in a faltering world economy. But a …

From base pair to bedside: molecular simulation and the translation of genomics to personalized medicine

DW Wright, S Wan, N Shublaq… - … Systems Biology and …, 2012 - Wiley Online Library
Despite the promises made that genomic sequencing would transform therapy by
introducing a new era of personalized medicine, relatively few tangible breakthroughs have …

Towards integrative systems pharmacology models in oncology drug development

JGC van Hasselt, PH van der Graaf - Drug Discovery Today: Technologies, 2015 - Elsevier
Quantitative systems pharmacology (QSP) modeling represents an emerging area of value
to further streamline knowledge integration and to better inform decision making processes …

[图书][B] Systems biology in drug discovery and development

DL Young, S Michelson - 2011 - books.google.com
The first book to focus on comprehensive systems biology as applied to drug discovery and
development Drawing on real-life examples, Systems Biology in Drug Discovery and …

Systems pharmacology to predict drug toxicity: integration across levels of biological organization

JPF Bai, DR Abernethy - Annual review of pharmacology and …, 2013 - annualreviews.org
To achieve sensitive and specific mechanism-based prediction of drug toxicity, the tools of
systems pharmacology will be integrated using structured ontological approaches, analytics …

Of possible cheminformatics futures

TI Oprea, O Taboureau, CG Bologa - Journal of computer-aided molecular …, 2012 - Springer
For over a decade, cheminformatics has contributed to a wide array of scientific tasks from
analytical chemistry and biochemistry to pharmacology and drug discovery; and although its …