Chemical Structures as Mathematica Expressions

Robert B. Nachbar

Information Sciences Research,
Merck Research Laboratories,
126 E. Lincoln Ave.,
Rahway, NJ 07065

Abstract

Data Structure

Chemical Constitution Optimization

Non-rigid Molecular Symmetry Group

Isomer Counting

Chemical Reactivity

References

© 2008 Wolfram Research, Inc. • Terms of Use • Privacy Policy