ArticleMolecular diversity2012
GSA: a GPU-accelerated structure similarity algorithm and its application in progressive virtual screening.
Article in Molecular diversity, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
What it found
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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.
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.
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Who cites it
7 citing papers in PubMed.
- DenovoProfiling: A webserver forComputational and structural biotechnology journal · 2022Article
- A de novo substructure generation algorithm for identifying the privileged chemical fragments of liver X receptorβ agonists.Scientific reports · 2017Article
- AlzhCPI: A knowledge base for predicting chemical-protein interactions towards Alzheimer's disease.PloS one · 2017Article
- A structural hierarchy matching approach for molecular similarity/substructure searching.Molecules (Basel, Switzerland) · 2015Article
- LBVS: an online platform for ligand-based virtual screening using publicly accessible databases.Molecular diversity · 2014Article
- ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability.Journal of computer-aided molecular design · 2014Article
- Predicting mTOR inhibitors with a classifier using recursive partitioning and Naïve Bayesian approaches.PloS one · 2014Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
A new algorithm is proposed for accelerating chemical structure similarity search by means of graphic processing unit technology. Experiments demonstrate that the new algorithm is on average more than 120-times faster than the one implemented in conventional central processing unit technology. In order to test the generality of the new algorithm, it has been applied in seven progressive virtual screening experiments on NCI/DTP 60 human cancer cell lines data. The progressive virtual screening results show that the technology can select 10-20% compounds for screening to get 70-80% intrinsic hits for a given chemical library and target.
Indexed as
Identifiers
23081812What OpenQuestion holds
Registered trials
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.