regsys
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
regsys [2012/11/07 12:41] – rkiss | regsys [2013/02/27 08:10] – rkiss | ||
---|---|---|---|
Line 1: | Line 1: | ||
- | ====== | + | ====== |
- | The mcule structure | + | The mcule database is curated by **MAC (Mcule Advanced Curation)** that involves a rigorous molecule |
- | Molecules with an MCULE ID have been all processed by the mcule structure registration system. User uploaded molecules are not processed by the mcule structure registration system by default. We will enable this option in future. | + | ==== Quality is important ==== |
- | **Key features:** high level data curation, stereochemical standardization, | + | The design of screening libraries and the development of predictive drug discovery models |
- | ===Registration challenges=== | + | The mcule structure registration system is primarily designed to correctly handle chemical structures coming from different data sources, mainly from chemical suppliers, and load the structures into the mcule database. This is a non-trivial task which requires a careful structure check and preparation procedure. To reach a high curation level, the registration system should ensure database quality in terms of structure correctness, |
+ | |||
+ | **All molecules with an MCULE ID have been processed by MAC**. User uploaded molecules are not processed by MAC by default. We will enable this option in future. | ||
+ | |||
+ | **Key features:** high level data curation, stereochemical standardization, | ||
+ | |||
+ | ==== Registration challenges | ||
regsys.txt · Last modified: 2013/10/19 11:36 by rkiss