When generating a large library of compounds to use in molecular modeling and cheminformatics, it is usually important to prepare the compounds before further use or analysis. a) Describe the following compound preparation steps and discuss why and when that particular preparation can be important. 1) Generation of tautomers. 2) Generation of low-energy conformations.

When generating a large library of compounds to use in molecular modeling and cheminformatics, it is usually important to prepare the compounds before further use or analysis. a) Describe the following compound preparation steps and discuss why and when that particular preparation can be important. 1) Generation of tautomers. 2) Generation of low-energy conformations.

Organic Chemistry

9th Edition

ISBN:9781305080485

Author:John E. McMurry

Publisher:John E. McMurry

Chapter30: Orbitals And Organic Chemistry: Pericyclic Reactions

Section30.SE: Something Extra

Problem 24AP

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