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.

Chemistry

10th Edition

ISBN:9781305957404

Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Chapter1: Chemical Foundations

Section: Chapter Questions

Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...

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