You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Manually drawn tryptophans can end up without hydrogens on the indol ring, leading to "invalid SMILES" errors by RDKit
Reactions where chiral carbons are oxidized (e.g. alpha-carbons of amino acids, specifically dehydrogenation of serin to dehydroalanine) lead to errors if the hydrogens of the alpha carbon of the product are not explicitly stated (e.g. -[#6&H0:71](=[#6:139]))
Reaction SMARTS/SMILES errors
-[#6&H0:71](=[#6:139]))