rules
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rules [2024/01/22 07:05] – anguerasempere | rules [2024/05/03 12:38] (current) – [Available Rules] strich | ||
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- | A list of all available rules is provided | + | A list of all available rules in enviPath can be found [[https:// |
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===== Description ===== | ===== Description ===== | ||
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- | A rule consists of one (simple rule) or several (composite rule) reaction patterns. Each pattern is represented by a SMIRKS string. enviPath can import or export transformation rules using this format. Additionally, | + | A rule consists of one (simple rule) or several (composite rule) reaction patterns. Each pattern is represented by a [[https:// |
===== EC numbers ===== | ===== EC numbers ===== | ||
- | Here, 4th level EC (Enzyme Commission) numbers (see numerical classification scheme for enzymes recommended by IUBMB) are listed for enzymes known to catalyze reactions that are consistent with the respective rule. Details on how these rule-enzymes linkages were generated are described in Schmid, Fenner, enviLink: A database linking contaminant biotransformation rules to enzyme classes in support of functional association mining, submitted to Biofinformatics, | + | Here, 4th level EC (Enzyme Commission) numbers (see [[http:// |
===== Additional fields ===== | ===== Additional fields ===== | ||
- | A rule can have additional SMARTS filter that exclude matching products or reactants when applying the rule. | + | * A rule can have additional |
- | In the core data provided in enviPath, the aerobic rule likelihood is stored as additional information. This information can be used to apply a truncation strategy when predicting a pathway, e.g. to suppress reactions that are unlikely under aerobic conditions. | + | |
- | Retrieved from " | + | |
rules.1705907102.txt.gz · Last modified: 2024/01/22 07:05 by anguerasempere