-
```
What steps will reproduce the problem?
1. install build from http://rghost.ru/38571373
2. animated smiles plugin -
http://code.google.com/p/mirandaimplugins/downloads/detail?name=smileyaddbinx64w…
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Impossible select and post smiles on https://vk.com even if site added to Excluded.
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Icon ContentCopy (from MUI) will be added to each hit (LHS) and compound (RHS) which will be shown on when user enters the picture with structure area. After clicking the icon the SMILES (smiles attri…
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## FEATURE DESCRIPTION
### Feature Inspiration
HMDB is a very useful database of human metabolites, however, researchers sometimes measure or infuse compounds that are not considered naturally…
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with ``cirpy.resolve('5263-34-3', 'smiles')`` the result is '[Cl]|[Hg]|12|[OH+]=C(CC[OH+]|1C)NC3CCCCC23' which I don't think is valid. I believe this is the compound it should resolve to: https://pubc…
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```
def get_smiles(mol):
return Chem.MolToSmiles(mol, kekuleSmiles=True)
smiles = Chem.MolFragmentToSmiles(mol, atoms, kekuleSmiles=True)
```
Why does reading smiles require kekule forma…
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https://github.com/Acylation/obsidian-chem
Run `npm install smiles-drawer`, and then declare it in the `global.d.ts` using the line `declare module 'smiles-drawer';`, then you'll have the smiles-dr…
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The method `moltosmiles` is missing, I will submit a PR solving it. Please someone(@mojaie) could assign me on this issue? #23
Strategy:
https://stackoverflow.com/questions/51195392/smiles-from…
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Hey Mojaie!
Should this be happening? I've found a few molecules that have oxygens showing up as SP3 and aromatic, see the MWE below for the ones I've caught.
```Julia
smiles = [
"C1=CC=…
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In MultitaskScaffoldSplitter, with certain datasets, you often see warning messages saying "two scaffolds match exactly?!?". This happens when the minimum Tanimoto distance between pairs of compounds …