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• ZINC15 patterns
  We compute which molecules have which patterns. We use these for This table holds the smarts patterns, a fk to the origin of the pattern, an english description, a fk to the typ
  3 KB (481 words) - 17:26, 20 February 2017

Page text matches

• Natural products type
  == types with smarts patterns ==
  294 bytes (42 words) - 22:14, 22 July 2015
• ZINC15:Sterols
  Prof. Leslie Kuhn helped us with SMARTS patterns to guess the correct stereochemistry of sterols that are stereochemically a
  250 bytes (32 words) - 19:35, 3 September 2015
• ZINC15 todo
  * create patterns for all reactants and products * count of bb patterns
  2 KB (331 words) - 00:00, 29 July 2015
• Curating reactions
  Generate a Temp Table of all distinct patterns with numbers and origin_fks (kinds) Load patterns
  1 KB (163 words) - 23:54, 11 January 2016
• Why are imines bad?
  What are the most popular "objectionable" patterns, and why? [[Category:Patterns]]
  2 KB (120 words) - 16:58, 11 July 2015
• Google patents
  Copy & paste the patterns below to the search bar in google patents (https://patents.google.com)
  279 bytes (48 words) - 16:34, 11 September 2019
• Search
  ...ecommend Smallworld for most similarity applications and Arthor for smarts/patterns and substructure. Arthor and Smallworld are accessible directly, as well as
  434 bytes (57 words) - 22:24, 12 April 2023
• Jji-ts-2d-loading
  * 8. update patterns
  502 bytes (59 words) - 18:06, 3 December 2015
• New zinc15 questions
  2. how many pains patterns have zero hits?
  550 bytes (89 words) - 20:32, 12 July 2015
• ZINC15:Optimizing chemical search
  Chemical search that uses complex SMARTS patterns, returns many molecules, or is otherwise complex, may require a long time t
  685 bytes (105 words) - 22:50, 13 October 2015
• Continuous curation
  = Rings and Patterns = ** Compute patterns for newly added compounds.
  3 KB (406 words) - 17:23, 15 November 2016
• ZINC15 patterns
  We compute which molecules have which patterns. We use these for This table holds the smarts patterns, a fk to the origin of the pattern, an english description, a fk to the typ
  3 KB (481 words) - 17:26, 20 February 2017
• CC:Library preparation
  ...your reaction. This includes specifying both must-have and must-not-have patterns.
  869 bytes (128 words) - 19:10, 29 August 2022
• ZINC22:Getting started
  * molecules are also indexed by Arthor and searchable by substructure and patterns (SMARTS).
  893 bytes (134 words) - 23:05, 3 August 2020
• Pattern and reaction curation
  . 1540 and 1275 patterns are obsolete and can be removed
  893 bytes (117 words) - 23:17, 1 March 2018
• Resources
  ...5 patterns, 2.5 M entries ||a) List of patterns [http://zinc15.docking.org/patterns/]<br />b) Something here<br />c) Something here
  8 KB (1,197 words) - 18:30, 9 February 2017
• ZINC15:current limitations
  ...rated all patterns correctly yet. By incomplete curation, we mean that the patterns have not yet been correctly assigned to the "reactivity" axis. As a result,
  3 KB (550 words) - 14:52, 10 October 2015
• AMBER Score
  ...hell expressions. Each pattern is a sequence of 1 or more single character patterns and/or stars. The star matches zero or more occurrences of any single chara
  8 KB (1,307 words) - 01:00, 11 March 2014
• Substructure searching
  4) Put SMARTS patterns you want to search in the sub_pattern.smarts file and give each SMARTS patt
  2 KB (289 words) - 19:14, 13 September 2017
• ZINC15:Backlog
  * curate patterns
  2 KB (224 words) - 23:50, 12 February 2016