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• TLDR:enumeration
  This service (enumeration) enumerates libraries based on reactions defined in the chemistry commons. ...n email when it is complete. It is possible to do a very very big library enumeration. We are working to define the limits available to allow you to use this ser
  2 KB (256 words) - 20:21, 15 March 2023
• CLI Enumeration
  ...u will need to make a directory in your home directory that will store the enumeration results: "'''mkdir <name>'''". ...'' and the run the script with "'''bash ../scripts/Etest.bash .'''". After enumeration is completed cd into your results directly and your enumerated file should
  3 KB (558 words) - 19:57, 21 September 2023
• TLDR:Library Enumeration
  This is the TLDR tool for library enumeration LibEnum
  302 bytes (52 words) - 00:16, 18 August 2022

Page text matches

• CC:Library preparation
  * Step 2 is to perform a trial enumeration of your reaction. * Step 3 is to test your trial enumeration. Go back to steps 1 and 2 to refine your design until a high level of synth
  869 bytes (128 words) - 19:10, 29 August 2022
• CB Iridium
  == Library enumeration in Iridium-compatible formats == Use of classical enumeration scripts adapted to output iridium-compatible formats
  2 KB (276 words) - 17:44, 2 August 2023
• TLDR:Library Enumeration
  This is the TLDR tool for library enumeration LibEnum
  302 bytes (52 words) - 00:16, 18 August 2022
• CLI Enumeration
  ...u will need to make a directory in your home directory that will store the enumeration results: "'''mkdir <name>'''". ...'' and the run the script with "'''bash ../scripts/Etest.bash .'''". After enumeration is completed cd into your results directly and your enumerated file should
  3 KB (558 words) - 19:57, 21 September 2023
• TLDR:enumeration
  This service (enumeration) enumerates libraries based on reactions defined in the chemistry commons. ...n email when it is complete. It is possible to do a very very big library enumeration. We are working to define the limits available to allow you to use this ser
  2 KB (256 words) - 20:21, 15 March 2023
• Andrii's notes on SynthI
  == A. Enumeration based on all found BBs == Different from analog generation, the output of enumeration '''does not''' contain the reactions and synthons used for compod. generati
  5 KB (729 words) - 19:40, 28 March 2022
• Conversion of .rxn files to reaction SMARTS
  DataWarrior folks have implemented enumeration protocol in their soft. It is published in 10.1021/acs.jcim.1c01041
  726 bytes (98 words) - 21:14, 6 June 2022
• ABBB
  ...osynthetic reactions to produce building blocks. The second module called "enumeration" takes an input of the list of building blocks along with a desired tanimot
  2 KB (346 words) - 18:46, 4 November 2022
• AB3
  ...osynthetic reactions to produce building blocks. The second module called "enumeration" takes an input of the list of building blocks along with a desired tanimot
  2 KB (346 words) - 18:34, 21 March 2023
• Omega.py
  # Structure Enumeration Parameters
  3 KB (389 words) - 04:08, 14 February 2014
• ZINC:Problems
  * Probably incorrect enumeration/sampling of stereochemistry both R/S and E/Z
  3 KB (428 words) - 21:06, 4 October 2016
• Omega.parm
  # Structure Enumeration Parameters
  4 KB (557 words) - 04:10, 14 February 2014
• How to generate an HEI database
  ...g like "101 0" to it. The first number will be the starting number for the enumeration of the <tt>.db</tt> files, while the second is the current number of molecu
  9 KB (1,526 words) - 20:25, 8 October 2012
• Preparing the protein
  *atom enumeration does not matter, so don't bother to renumber after any of the following ste
  8 KB (1,492 words) - 23:15, 28 December 2012