CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes

Wojciech Plonka; Conrad Stork; Martin Šícho; Johannes Kirchmair

doi:10.1016/j.bmc.2021.116388

CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes

Wojciech Plonka, Conrad Stork, Martin Šícho, Johannes Kirchmair (Corresponding author)

Department of Pharmaceutical Sciences

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	116388
Number of pages	11
Journal	Bioorganic & Medicinal Chemistry
Volume	46
Early online date	28 Aug 2021
DOIs	https://doi.org/10.1016/j.bmc.2021.116388
Publication status	Published - 15 Sept 2021

Funding

Funding Information C.S. and J.K. are supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) -project number KI 2085/1-1. M. S?. is supported by the Ministry of Education, Youth and Sports of the Czech Republic-project number LM2018130.

Austrian Fields of Science 2012

106005 Bioinformatics
301207 Pharmaceutical chemistry

Keywords

CLASSIFICATION
COMPUTATIONAL PREDICTION
Cytochrome P450 inhibition
DRUGS
Drug metabolism
IN-SILICO PREDICTION
METABOLISM
Machine learning
Metabolism prediction

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10.1016/j.bmc.2021.116388Licence: CC BY 4.0

https://phaidra.univie.ac.at/o:1586517Licence: CC BY 4.0

Cite this

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title = "CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes",

keywords = "CLASSIFICATION, COMPUTATIONAL PREDICTION, Cytochrome P450 inhibition, DRUGS, Drug metabolism, IN-SILICO PREDICTION, METABOLISM, Machine learning, Metabolism prediction",

author = "Wojciech Plonka and Conrad Stork and Martin {\v S}{\'i}cho and Johannes Kirchmair",

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doi = "10.1016/j.bmc.2021.116388",

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T2 - Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes

AU - Plonka, Wojciech

AU - Stork, Conrad

AU - Šícho, Martin

AU - Kirchmair, Johannes

PY - 2021/9/15

Y1 - 2021/9/15

KW - CLASSIFICATION

KW - COMPUTATIONAL PREDICTION

KW - Cytochrome P450 inhibition

KW - DRUGS

KW - Drug metabolism

KW - IN-SILICO PREDICTION

KW - METABOLISM

KW - Machine learning

KW - Metabolism prediction

UR - https://www.scopus.com/pages/publications/85114184635

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DO - 10.1016/j.bmc.2021.116388

M3 - Article

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SN - 0968-0896

VL - 46

JO - Bioorganic & Medicinal Chemistry

JF - Bioorganic & Medicinal Chemistry

M1 - 116388

ER -

CYPlebrity: Machine learning models for the prediction of inhibitors of cytochrome P450 enzymes

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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