Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Generation and Validation of SMILES String

The ligand 3D coordinates were converted to a SMILES string using an in-house translation algorithm, as described previously. An alternative SMILES string was generated using the lookup table available from the M S D web site [4] that converts the [Pg.170]

1) Daylight Chemical Information Systems, Inc., Aliso Viejo, CA, http //www.daylight.com/. [Pg.171]


See other pages where Generation and Validation of SMILES String is mentioned: [Pg.170]   


SEARCH



Stringing

Validation SMILES

© 2024 chempedia.info