NERDD: a web portal providing access to in silico tools for drug discovery

Conrad Stork; Gerd Embruch; Martin Šícho; Christina de Bruyn Kops; Ya Chen; Daniel Svozil; Johannes Kirchmair

doi:10.1093/bioinformatics/btz695

NERDD: a web portal providing access to in silico tools for drug discovery

Conrad Stork, Gerd Embruch, Martin Šícho, Christina de Bruyn Kops, Ya Chen, Daniel Svozil, Johannes Kirchmair (Corresponding author)

Publications: Contribution to journal › Article › Peer Reviewed

Abstract

The New E-Resource for Drug Discovery (NERDD) is a quickly expanding web portal focused on the provision of peer-reviewed in silico tools for drug discovery. NERDD currently hosts tools for predicting the sites of metabolism (FAME) and metabolites (GLORY) of small organic molecules, for flagging compounds that are likely to interfere with biological assays (Hit Dexter), and for identifying natural products and natural product derivatives in large compound collections (NP-Scout). Several additional models and components are currently in development.

Original language	English
Pages (from-to)	1291-1292
Number of pages	2
Journal	Bioinformatics
Volume	36
Issue number	4
DOIs	https://doi.org/10.1093/bioinformatics/btz695
Publication status	Published - 15 Feb 2020
Externally published	Yes

Austrian Fields of Science 2012

106005 Bioinformatics
301207 Pharmaceutical chemistry

Keywords

Biological Products
Computer Simulation
Computers
Drug Discovery
Internet
Software

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10.1093/bioinformatics/btz695

Cite this

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abstract = "The New E-Resource for Drug Discovery (NERDD) is a quickly expanding web portal focused on the provision of peer-reviewed in silico tools for drug discovery. NERDD currently hosts tools for predicting the sites of metabolism (FAME) and metabolites (GLORY) of small organic molecules, for flagging compounds that are likely to interfere with biological assays (Hit Dexter), and for identifying natural products and natural product derivatives in large compound collections (NP-Scout). Several additional models and components are currently in development.",

keywords = "Biological Products, Computer Simulation, Computers, Drug Discovery, Internet, Software",

author = "Conrad Stork and Gerd Embruch and Martin {\v S}{\'i}cho and \{de Bruyn Kops\}, Christina and Ya Chen and Daniel Svozil and Johannes Kirchmair",

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doi = "10.1093/bioinformatics/btz695",

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AU - Stork, Conrad

AU - Embruch, Gerd

AU - Šícho, Martin

AU - de Bruyn Kops, Christina

AU - Chen, Ya

AU - Svozil, Daniel

AU - Kirchmair, Johannes

PY - 2020/2/15

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KW - Biological Products

KW - Computer Simulation

KW - Computers

KW - Drug Discovery

KW - Internet

KW - Software

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ER -

NERDD: a web portal providing access to in silico tools for drug discovery

Abstract

Austrian Fields of Science 2012

Keywords

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