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--- regsys [2013/02/27 08:06] – rkiss
+++ regsys [2013/02/27 08:10] – rkiss
@@ Line 7: / Line 7: @@
 The design of screening libraries and the development of predictive drug discovery models **all start with a high quality database**. Chemical correctness is crucial because mis-drawn and imperfectly defined structures result in incorrect models, misleading predictions and inconsistent hits. Problematic structures should therefore be eliminated at the earliest possible stage from a drug discovery pipeline.
+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, uniqueness and reliability as well as maintain a high level of data standardization.
-The mcule structure registration system is primarily designed to 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, uniqueness and reliability as well as maintain a high level of data standardization.
+**All molecules with an MCULE ID have been processed by MAC**. User uploaded molecules are not processed by MAC by default. We plan to enable this option in future.
-All molecules with an MCULE ID have been 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.
+**Key features:** high level data curation, stereochemical standardization, robust novelty check and isomer detection, correct handling of salts & organometallics
-**Key features:** high level data curation, stereochemical standardization, robust novelty check and isomer detection, handling salts & organometallics
+==== Registration challenges ====
-===Registration challenges===