"whatever works best" because it also totally depends on your field of application. Here[0] is for example a similarity search using the Tanimoto[1] index. The

"whatever works best" because it also totally depends on your field of application. Here[0] is for example a similarity search using the Tanimoto[1] index. The "works best" is also, in many cases, subjective. This is also not easy to assess, you may need several people looking at the results, here molecules, to say if yes they are similar or not. A chemist will think differently than a biologist in this regard. [0]: https://www.chemeo.com/similar?smiles=Cc1c%28%5bN%2b%5d%28%3dO%29%5bO-%5d%29cc%28%5bN%2b%5d%28%3dO%29%5bO-%5d%29cc1%5bN%2b%5d%28%3dO%29%5bO-%5d https://www.chemeo.com/similar?smiles=Cc1c%28%5bN%2b%5d%28%3... [1]: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-015-0069-3 https://jcheminf.biomedcentral.com/articles/10.1186/s13321-0...