Evidence map›Paper›PMID 20838980›Full record

ReviewMethods in molecular biology (Clifton, N.J.)2011

Computational systems chemical biology.

Tudor I Oprea, Elebeoba E May, Andrei Leitão, Alexander Tropsha

Abstract readReview
In one paragraph

Review in Methods in molecular biology (Clifton, N.J.), 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.

0numbers the graph read from it
0cells of the map it votes in
12citing papers in PubMed
2.9field-weighted citation impact, top 8% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

12 citing papers in PubMed, 22 citations in OpenAlex.

  1. Protein Is an Intelligent Micelle.Entropy (Basel, Switzerland) · 2023
    Article
  2. Article
  3. Drug Research Meets Network Science: Where Are We?Journal of medicinal chemistry · 2020
    Article
  4. Article
  5. Review
  6. Review
  7. Article
  8. Article
  9. Article
  10. Of possible cheminformatics futures.Journal of computer-aided molecular design · 2012
    Article
  11. BDDCS applied to over 900 drugs.The AAPS journal · 2011
    Article
  12. The BCS, BDDCS, and regulatory guidances.Pharmaceutical research · 2011
    Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors at 3 institutions in 1 country.

Tudor I OpreaDepartment of Biochemistry and Molecular Biology, School of Medicine, University of New Mexico, Albuquerque, NM, USA.
Elebeoba E May
Andrei Leitão
Alexander Tropsha
University of New Mexico · USSandia National Laboratories California · USUniversity of North Carolina at Chapel Hill · US

Funding

Yeast Biology ConsortiumU54MH084690 · NIMH · UNIVERSITY OF NEW MEXICO HEALTH SCIS CTR · PI TEGOS, GEORGE P · 2008 to 2013
$14.4M
PREDICTIVE QSAR MODELINGR01GM066940 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI TROPSHA, ALEXANDER · 2003 to 2011
$3.0M
Robust computational framework for predictive ADME-Tox modelingR21GM076059 · NIGMS · UNIV OF NORTH CAROLINA CHAPEL HILL · PI TROPSHA, ALEXANDER · 2006 to 2008
$1000k
NIGMS NIH HHS R01 GM066940NIGMS NIH HHS R01GM066940NIGMS NIH HHS R21GM076059NIMH NIH HHS 1U54MH084690-01
6 · The paper itself

Abstract

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 continue to accumulate at the same time as simulation tools in systems biology and whole body physiologically based pharmacokinetics (PBPK) continue to evolve. We called this emerging area at the interface between chemical biology and systems biology systems chemical biology (SCB) (Nat Chem Biol 3: 447-450, 2007).The overarching goal of computational SCB is to develop tools for integrated chemical-biological data acquisition, filtering and processing, by taking into account relevant information related to interactions between proteins and small molecules, possible metabolic transformations of small molecules, as well as associated information related to genes, networks, small molecules, and, where applicable, mutants and variants of those proteins. There is yet an unmet need to develop an integrated in silico pharmacology/systems biology continuum that embeds drug-target-clinical outcome (DTCO) triplets, a capability that is vital to the future of chemical biology, pharmacology, and systems biology. Through the development of the SCB approach, scientists will be able to start addressing, in an integrated simulation environment, questions that make the best use of our ever-growing chemical and biological data repositories at the system-wide level. This chapter reviews some of the major research concepts and describes key components that constitute the emerging area of computational systems chemical biology.

Indexed as

BiologyComputational BiologyComputer SimulationHumansResearchSystems Biology

Identifiers

PMID20838980
PMCPMC3547368
OpenAlexW2115786648

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.