Deprecated: $wgMWOAuthSharedUserIDs=false is deprecated, set $wgMWOAuthSharedUserIDs=true, $wgMWOAuthSharedUserSource='local' instead [Called from MediaWiki\HookContainer\HookContainer::run in /var/www/html/w/includes/HookContainer/HookContainer.php at line 135] in /var/www/html/w/includes/Debug/MWDebug.php on line 372

Notice: Unexpected clearActionName after getActionName already called in /var/www/html/w/includes/Context/RequestContext.php on line 321
Transformations in PubChem - Full Dataset - MaRDI portal

Deprecated: Use of MediaWiki\Skin\SkinTemplate::injectLegacyMenusIntoPersonalTools was deprecated in Please make sure Skin option menus contains `user-menu` (and possibly `notifications`, `user-interface-preferences`, `user-page`) 1.46. [Called from MediaWiki\Skin\SkinTemplate::getPortletsTemplateData in /var/www/html/w/includes/Skin/SkinTemplate.php at line 691] in /var/www/html/w/includes/Debug/MWDebug.php on line 372

Deprecated: Use of QuickTemplate::(get/html/text/haveData) with parameter `personal_urls` was deprecated in MediaWiki Use content_navigation instead. [Called from MediaWiki\Skin\QuickTemplate::get in /var/www/html/w/includes/Skin/QuickTemplate.php at line 131] in /var/www/html/w/includes/Debug/MWDebug.php on line 372

Transformations in PubChem - Full Dataset

From MaRDI portal
(Redirected from Dataset:6705685)



DOI10.5281/zenodo.10998412Zenodo10998412MaRDI QIDQ6705685

Dataset published at Zenodo repository.

Author name not available (Why is that?)

Publication date: 2 April 2024

Copyright license: No records found.



Description

This is an archive of the data contained in the "Transformations" section in PubChem for integration into patRoon and other workflows. For further details see the ECI GitLab site: README and main "tps" folder. Credits: Concepts: E Schymanski, E Bolton, J Zhang, T Cheng; Code (in R): E Schymanski, R Helmus, P Thiessen Transformations: E Schymanski, J Zhang, T Cheng and many contributors to various lists! PubChem infrastructure: PubChem team Reaction InChI (RInChI) calculations (v1.0): Gerd Blanke (previous versions of these files) Acknowledgements: ECI team who contributed to related efforts, especially: J. Krier, A. Lai, M. Narayanan, T. Kondic, P. Chirsir, E. Palm. All contributors to the NORMAN-SLE transformations!






This page was built for dataset: Transformations in PubChem - Full Dataset

Retrieved from "https://mardi.schubotz.org/w/index.php?title=Transformations_in_PubChem_-_Full_Dataset&oldid=44842960"
Powered by MediaWiki