User contributions for Iamkaant
Jump to navigation
Jump to search
21 September 2023
- 06:4106:41, 21 September 2023 diff hist +318 Extended Search of Analogs via Bioisosteric Replacements disclaimer added current
- 06:1606:16, 21 September 2023 diff hist +3,045 N Extended Search of Analogs via Bioisosteric Replacements Created page with "=== Rationale === Our standard pipeline of searching for analogs (at least as I know it) consists of entering the SMILES of a molecule of interest into all flavors of SmallWorld and Arthor, available in the lab. This procedure has two drawbacks: # Limited diversity. SmallWorld's and Arthor's measure of distance between the analogs and the parent compound is graph edit distance.<ref>I am probably using slightly wrong terminology here, so be it. You can learn more about..."
20 July 2023
- 00:2000:20, 20 July 2023 diff hist +2 m Global Matching Sphere Optimization No edit summary current
- 00:1900:19, 20 July 2023 diff hist +176 m Global Matching Sphere Optimization No edit summary
- 00:1600:16, 20 July 2023 diff hist −22 m Global Matching Sphere Optimization No edit summary
17 July 2023
- 16:0416:04, 17 July 2023 diff hist +2,957 Global Matching Sphere Optimization updated to describe the new version of Juggler
31 May 2023
- 21:3621:36, 31 May 2023 diff hist +6 m Membrane Modeling No edit summary current