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Interpretation of Conformal Prediction Classification Models

Ahlberg, Ernst (author)
AstraZeneca Innovat Med & Early Dev, Drug Safety & Metab, Molndal, Sweden.
Spjuth, Ola (author)
Uppsala universitet,Institutionen för farmaceutisk biovetenskap
Hasselgren, Catrin (author)
Univ New Mexico, Internal Med, Albuquerque, NM 87131 USA.
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Carlsson, Lars (author)
AstraZeneca Innovat Med & Early Dev, Drug Safety & Metab, Molndal, Sweden.
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AstraZeneca Innovat Med & Early Dev, Drug Safety & Metab, Molndal, Sweden Institutionen för farmaceutisk biovetenskap (creator_code:org_t)
2015-04-03
2015
English.
In: STATISTICAL LEARNING AND DATA SCIENCES. - Cham : Springer International Publishing. - 9783319170916 - 9783319170909 ; , s. 323-334
  • Conference paper (peer-reviewed)
Abstract Subject headings
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  • We present a method for interpretation of conformal prediction models. The discrete gradient of the largest p-value is calculated with respect to object space. A criterion is applied to identify the most important component of the gradient and the corresponding part of the object is visualized. The method is exemplified with data from drug discovery relating chemical compounds to mutagenicity. Furthermore, a comparison is made to already established important subgraphs with respect to mutagenicity and this initial assessment shows very useful results with respect to interpretation of a conformal predictor.

Subject headings

MEDICIN OCH HÄLSOVETENSKAP  -- Medicinska och farmaceutiska grundvetenskaper -- Farmaceutiska vetenskaper (hsv//swe)
MEDICAL AND HEALTH SCIENCES  -- Basic Medicine -- Pharmaceutical Sciences (hsv//eng)

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Ahlberg, Ernst
Spjuth, Ola
Hasselgren, Catr ...
Carlsson, Lars
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MEDICAL AND HEAL ...
and Basic Medicine
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STATISTICAL LEAR ...
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Uppsala University

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