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  1. (hist) ‎Working with SD tag data ‎[16,927 bytes]
  2. (hist) ‎Align the depiction using a fixed substructure ‎[15,017 bytes]
  3. (hist) ‎Highlight a substructure in the depiction ‎[12,028 bytes]
  4. (hist) ‎Report the similarity between two structures ‎[10,679 bytes]
  5. (hist) ‎Depict a compound as an image ‎[10,615 bytes]
  6. (hist) ‎Heavy atom counts from an SD file ‎[10,240 bytes]
  7. (hist) ‎Find the 10 nearest neighbors in a data set ‎[9,864 bytes]
  8. (hist) ‎Break rotatable bonds and report the fragments ‎[7,586 bytes]
  9. (hist) ‎Calculate TPSA ‎[6,338 bytes]
  10. (hist) ‎Change stereochemistry of certain atoms in SMILES file ‎[6,128 bytes]
  11. (hist) ‎Ring counts in a SMILES file ‎[6,126 bytes]
  12. (hist) ‎Find the graph diameter ‎[5,802 bytes]
  13. (hist) ‎Convert a SMILES string to canonical SMILES ‎[5,569 bytes]
  14. (hist) ‎Perform a substructure search on SDF file and report the number of false positives ‎[5,536 bytes]
  15. (hist) ‎Convert SMILES file to SD file ‎[4,609 bytes]
  16. (hist) ‎Chemistry Toolkit Rosetta Wiki ‎[4,595 bytes]
  17. (hist) ‎Unique SMARTS matches against a SMILES string ‎[4,580 bytes]
  18. (hist) ‎Report how many SD file records are within a certain molecular weight range ‎[2,679 bytes]
  19. (hist) ‎Detect and report SMILES and SDF parsing errors ‎[2,298 bytes]
  20. (hist) ‎Calculate 0, 1st, 2nd order Molecular Connectivity Indices (MCIs) using openbabel/pybel ‎[1,628 bytes]
  21. (hist) ‎Iteration through an SD file ‎[1,460 bytes]
  22. (hist) ‎Benzodiazepine ‎[1,059 bytes]

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