English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
 
 
DownloadE-Mail
 Local TagsRelease HistoryDetailsSummary
  Interactive Exploration of Chemical Space with Scaffold Hunter

Wetzel, S., Klein, K., Renner, S., Rauh, D., Oprea, T. I., Mutzel, P., et al. (2009). Interactive Exploration of Chemical Space with Scaffold Hunter. Nature Chemical Biology, 5(8): 1, pp. 581-583; 696. Retrieved from http://dx.doi.org/10.1038/nchembio.187.

Item is

 

show all hide all

Basic

show hide
Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-0350-E Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0014-0351-C
Genre: Journal Article

Files

show Files
hide Files
:
run_ScaffoldHunter.bat (Any fulltext), 39B
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0352-A
Name:
run_ScaffoldHunter.bat
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/bat / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-
:
ScaffoldHunter_readme.txt (Any fulltext), 2KB
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0353-8
Name:
ScaffoldHunter_readme.txt
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
text/plain / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-
:
ScaffoldTreeGenerator_readme.txt (Any fulltext), 2KB
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0354-6
Name:
ScaffoldTreeGenerator_readme.txt
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
text/plain / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-
:
run_ScaffoldTreeGenerator.bat (Any fulltext), 46B
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0355-4
Name:
run_ScaffoldTreeGenerator.bat
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/bat / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-
:
InstallationGuide_Databases.pdf (Any fulltext), 2MB
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0356-2
Name:
InstallationGuide_Databases.pdf
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-
:
pyruvatekinasedata.zip (Any fulltext), 209MB
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0357-F
Name:
pyruvatekinasedata.zip
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/zip / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-
:
scaffoldhunter_profiles.zip (Any fulltext), 2KB
View   Save
File Permalink:
https://hdl.handle.net/11858/00-001M-0000-0014-0358-D
Name:
scaffoldhunter_profiles.zip
Description:
-
OA-Status:
Visibility:
Public
MIME-Type / Checksum:
application/zip / [MD5]
Technical Metadata:
View
Copyright Date:
-
Copyright Info:
eDoc_access: PUBLIC
License:
-

Locators

show

Creators

show
hide
 Creators:
Wetzel, Stefan1, Author
Klein, Karsten, Author
Renner, Steffen1, Author
Rauh, Daniel2, Author           
Oprea, Tudor I., Author
Mutzel, Petra, Author
Waldmann, Herbert3, Author           
Affiliations:
1Max Planck Institute of Molecular Physiology, Max Planck Society, ou_1753286              
2Chemical Genomics Center of the MPS, Max Planck Institute of Molecular Physiology, Max Planck Society, ou_1753292              
3Abt. IV: Chemische Biologie, Max Planck Institute of Molecular Physiology, Max Planck Society, ou_1753290              

Content

show
hide
Free keywords: -
 Abstract: The supporting information is composed of the following files: I. pyruvatekinasedata.zip The pyruvate kinase data set used for the analysis described in the referenced publication is contained in this file. The analysis is based on the Pyruvate Kinase Screen as published in PubChem under the assay ID 361. It contains all compounds checked in this screen together with the scaffold tree generated from it. Scaffold Hunter can be used to query the database and interactively display the scaffold tree. This file is a dump from a MySQL 5.1 database and was generated with MySQL Administrator 1.2.5. It can be restored with the same program. II. scaffoldhunter_profiles.zip Scaffold Hunter saves the user profiles either on the hard disk or in a database. The corresponding database schema is contained in this zip file. This schema must be contained in the MySQL database before Scaffold Hunter can be run. This file is a dump from a MySQL 5.1 database and was generated with MySQL Administrator 1.2.5. It can be restored with the same program. III. InstallationGuide_Databases.pdf This document describes the installation of a local MySQL database server and the graphical user interface MySQL Administrator. Restoration of the profiles and sample databases are also described. IV. run_ScaffoldHunter.bat Windows batch file to run Scaffold Hunter with 1024 MByte of Memory. V. run_ScaffoldTreeGenerator.bat Windows batch file to run ScaffoldTreeGenerator with 1024 MByte of Memory. VI. ScaffoldHunter_readme.txt Textfile with advice for the installation of Scaffold Hunter. VII. ScaffoldTreeGenerator_readme.txt Textfile with advice for the installation of ScaffoldTree Generator.

Details

show
hide
Language(s): eng - English
 Dates: 2009-06-28
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 429252
URI: http://dx.doi.org/10.1038/nchembio.187
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Nature Chemical Biology
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 5 (8) Sequence Number: 1 Start / End Page: 581 - 583; 696 Identifier: -