User contributions for Mtsukanov

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20 February 2024

  • 22:1522:15, 20 February 2024 diff hist +1,061 N Covalent Library Preparation 2024Created page with "Modify warhead to covalent adduct with SiH3 added. == Prepare “SMILES ID” file. == ssh n-1-17 (or another development node) Source environment with RDkit source /mnt/nfs/ex9/work/ttummino/miniconda/etc/profile.d/conda.sh conda activate base3.7 python ~ak87/PROGRAM/convert_smiles_to_covalent.py ald bbv-cov-ald.smi bbv-cov-ald-test.smi This script enumerates all stereoisomers and converts SMILES to the covalent ones. Currently, only conversions for aldehydes..." current

5 December 2023

21 September 2023

10 August 2023

23 May 2023

21 March 2023

4 November 2022

1 November 2022

28 September 2022

29 August 2022

28 August 2022

27 August 2022

  • 23:3123:31, 27 August 2022 diff hist +1,949 N ABBBCreated page with "ABBB or Analog By Building Block is a tool designed by the Irwin Lab for the purpose of analogizing molecules. The molecules that are given to the tool are first retrosynthesi..."