Evidence map›Paper›PMID 17549046›Full record

ReviewBritish journal of pharmacology2007

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

S Ekins, J Mestres, B Testa

Abstract readReview
In one paragraph

Review in British journal of pharmacology, 2007. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 128 papers, 2 of them syntheses that pooled it.

0numbers the graph read from it
0cells of the map it votes in
128citing papers in PubMed, 2 pooled it
–field-weighted citation impact
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

128 citing papers in PubMed, 2 syntheses or guidelines pooled it.

  1. Pooled it
  2. Pooled it
  3. Article
  4. Target identification and assessment in the era of AI.Nature reviews. Drug discovery · 2026
    Review
  5. Article
  6. Article
  7. A Herbal Pair ofFood science & nutrition · 2026
    Article
  8. Article
  9. Article
  10. Pathogens (Basel, Switzerland) · 2026
    Article
  11. Article
  12. Article
  13. Article
  14. Article
  15. From AI-AssistedPharmaceuticals (Basel, Switzerland) · 2025
    Review
  16. Article
  17. Article
  18. Article
  19. Review
  20. Review

68 more citing papers are in PubMed but not listed here.

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

3 authors.

S EkinsACT LLC, 1 Penn Plaza, New York, NY 10119, USA. ekinssean@yahoo.com
J Mestres
B Testa

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Computational (in silico) methods have been developed and widely applied to pharmacology hypothesis development and testing. These in silico methods include databases, quantitative structure-activity relationships, similarity searching, pharmacophores, homology models and other molecular modeling, machine learning, data mining, network analysis tools and data analysis tools that use a computer. Such methods have seen frequent use in the discovery and optimization of novel molecules with affinity to a target, the clarification of absorption, distribution, metabolism, excretion and toxicity properties as well as physicochemical characterization. The first part of this review discussed the methods that have been used for virtual ligand and target-based screening and profiling to predict biological activity. The aim of this second part of the review is to illustrate some of the varied applications of in silico methods for pharmacology in terms of the targets addressed. We will also discuss some of the advantages and disadvantages of in silico methods with respect to in vitro and in vivo methods for pharmacology research. Our conclusion is that the in silico pharmacology paradigm is ongoing and presents a rich array of opportunities that will assist in expediting the discovery of new targets, and ultimately lead to compounds with predicted biological activity for these novel targets.

Indexed as

Computer-Aided DesignDatabases as TopicDrug DesignLigandsSystems BiologyUser-Computer InterfaceAnimalsAnti-Bacterial AgentsAntiviral AgentsCarrier ProteinsComputer GraphicsEnzymesGene Regulatory NetworksHumansIon ChannelsMetabolic Networks and PathwaysAnti-Bacterial AgentsAntiviral AgentsCarrier ProteinsEnzymesIon ChannelsLigandsReceptors, Cell SurfaceReceptors, Cytoplasmic and NuclearTranscription Factors

Identifiers

PMID17549046
PMCPMC1978280

What OpenQuestion holds

Textmetadata
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.