Molecular similarity has become an important tool in drug discovery for searching structural databases either for analogous compounds or diverse compounds.  Some of the lessons learned in the application of this technology to drug discovery are useful in evaluating compounds that are not explicitly listed as controlled substances, but may be agents for abuse.  Discussion in this session will include techniques used in Pharma to evaluate similarity in structure and bioactivity and other considerations in drug discovery.

Novel compounds: Are they similar?

244th National Meeting (2012)

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