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Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles

Overview of attention for article published in Journal of Cheminformatics, November 2016
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About this Attention Score

  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (93rd percentile)
  • High Attention Score compared to outputs of the same age and source (91st percentile)

Mentioned by

blogs
1 blog
twitter
27 X users
googleplus
2 Google+ users
reddit
1 Redditor

Readers on

mendeley
82 Mendeley
citeulike
2 CiteULike
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Title
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles
Published in
Journal of Cheminformatics, November 2016
DOI 10.1186/s13321-016-0179-6
Pubmed ID
Authors

Samuel Lampa, Jonathan Alvarsson, Ola Spjuth

Abstract

Predictive modelling in drug discovery is challenging to automate as it often contains multiple analysis steps and might involve cross-validation and parameter tuning that create complex dependencies between tasks. With large-scale data or when using computationally demanding modelling methods, e-infrastructures such as high-performance or cloud computing are required, adding to the existing challenges of fault-tolerant automation. Workflow management systems can aid in many of these challenges, but the currently available systems are lacking in the functionality needed to enable agile and flexible predictive modelling. We here present an approach inspired by elements of the flow-based programming paradigm, implemented as an extension of the Luigi system which we name SciLuigi. We also discuss the experiences from using the approach when modelling a large set of biochemical interactions using a shared computer cluster.Graphical abstract.

X Demographics

X Demographics

The data shown below were collected from the profiles of 27 X users who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 82 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Brazil 1 1%
Unknown 81 99%

Demographic breakdown

Readers by professional status Count As %
Researcher 18 22%
Student > Master 16 20%
Student > Ph. D. Student 15 18%
Student > Bachelor 10 12%
Student > Doctoral Student 2 2%
Other 8 10%
Unknown 13 16%
Readers by discipline Count As %
Computer Science 21 26%
Agricultural and Biological Sciences 10 12%
Biochemistry, Genetics and Molecular Biology 7 9%
Chemistry 6 7%
Pharmacology, Toxicology and Pharmaceutical Science 5 6%
Other 18 22%
Unknown 15 18%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 29. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 08 July 2020.
All research outputs
#1,297,383
of 24,903,209 outputs
Outputs from Journal of Cheminformatics
#64
of 934 outputs
Outputs of similar age
#26,283
of 426,426 outputs
Outputs of similar age from Journal of Cheminformatics
#3
of 23 outputs
Altmetric has tracked 24,903,209 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 94th percentile: it's in the top 10% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 934 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 10.2. This one has done particularly well, scoring higher than 93% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 426,426 tracked outputs that were published within six weeks on either side of this one in any source. This one has done particularly well, scoring higher than 93% of its contemporaries.
We're also able to compare this research output to 23 others from the same source and published within six weeks on either side of this one. This one has done particularly well, scoring higher than 91% of its contemporaries.