Sentence examples for valid smiles from inspiring English sources
Sequences that are not valid SMILES receive a score of (-1), which means that the scoring function naturally encourages valid SMILES.
However, it was found that such regularization undermined the models ability to produce valid SMILES.
Can the models achieve the task of generating valid SMILES corresponding to structures that do not contain sulphur?
The experiment aims to answer the following questions: Can the models achieve the task of generating valid SMILES corresponding to structures that do not contain sulphur?
For a fast search just replace allcod.smi by allcod.fs using a valid SMILES as a query instead of a SMARTS pattern.
The uploaders are required to provide the molecular structure information (valid SMILES and InChi codes), performance data, experimental conditions, chemical scaffold (coumarin, porphyrin etc).
That I could actually suffer Matt Lucas, after years of gazing disconsolately at Little Britain as unable to raise a smile as I was to form a valid hatred.
Phillips's smile seems to be urging Kate to see what she can plainly see: that their lives are no less valid.
That is still valid – flawed, but valid".
