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How stable is OEChem and how does it compare to Daylight?

April 26, 2017compare daylight oechem STABLE

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How stable is OEChem and how does it compare to Daylight?

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For the purposes of gNova CHORD, either Daylight or OEChem would do. We made the decision to use OEChem for several reasons. 1) there was no database “cartridge” for OEChem users; 2) OEChem produces correct, canonical SMILES in all cases we know of; 3) OEChem SMARTS produces correct matches in all cases we know of; 4) OEChem molecule objects are more flexible and open; and 5) we have plans to integrate other features of OpenEye software (3D structures and searches) into future versions of CHORD.