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- 06:15, 8 August 2022 diff hist +155 N TLDR:Swbatch Created page with "== Purpose == Running multiple queries on SmallWorld. See https://sw.docking.org/search.html == Inputs == * molecules.ism == Outputs == TBD == Notes == TBD" current
- 06:14, 8 August 2022 diff hist -39 TLDR →SWbatch current
- 06:12, 8 August 2022 diff hist +275 N TLDR:Newbuild3d Created page with "== Purpose == Prepare a 3D library for docking with '''DOCK3.8''' pipeline in several formats used by popular docking programs: sdf, db2, mol2, pdbqt, solv == Inputs == * mol..." current
- 05:48, 8 August 2022 diff hist -95 TLDR →Newbuild3D
- 05:37, 8 August 2022 diff hist +387 N TLDR:Extrema Created page with "== Purpose == Generate an equivalent number of charged (-2, -1, 0, +1, +2) molecules in the molecular weight and cLogP property space of your input SMILES molecules. These cha..." current
- 05:33, 8 August 2022 diff hist -261 TLDR →Extrema
- 05:32, 8 August 2022 diff hist +170 N TLDR:Bootstrap2 Created page with "== Purpose == Get 95% confidence interval from bootstrapping. == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD" current
- 05:31, 8 August 2022 diff hist -27 TLDR →Bootstrap2
- 05:31, 8 August 2022 diff hist -34 TLDR →Bootstrap1
- 05:30, 8 August 2022 diff hist +176 N TLDR:Bootstrap1 Created page with "== Purpose == Compare performance of 2 docking methods with p value == Inputs == * decoys.name * ligands.name * ranked_list_1 * ranked_list_2 == Outputs == TBD == Notes == TBD" current
- 05:21, 8 August 2022 diff hist -123 TLDR →Strain
- 05:20, 8 August 2022 diff hist +409 N TLDR:Strain Created page with "== Purpose == This strain filter software is a fast and reliable approach to calculate the strain energy of millions of small molecules. == Inputs == * mol2 file contains mole..." current
- 05:06, 8 August 2022 diff hist -660 TLDR →DUDE-Z
- 05:01, 8 August 2022 diff hist +12 TLDR →TLDR:Bioisostere
- 05:00, 8 August 2022 diff hist +12 TLDR →TLDR:Arthorbatch
- 05:00, 8 August 2022 diff hist -1,121 TLDR →TLDR:Bioisostere
- 04:59, 8 August 2022 diff hist +385 TLDR:Bioisostere current
- 04:59, 8 August 2022 diff hist -9 TLDR →Bioisostere (formerly Analog)
- 04:59, 8 August 2022 diff hist -117 TLDR →Arthorbatch
- 04:55, 8 August 2022 diff hist +771 N TLDR:DUDE-Z Created page with "== Purpose == Assemble decoys for docking using the DUDEZ approach. See https://dudez.docking.org for sample data == Inputs == * Ligands provided in smiles format (actives.sm..." current