Algorithms for Fragment-Based Methods

In practice many of the fragment-based methods in the field use algorithms with common sub-algorithms. For example, at one point or another all such methods must define a set of fragments. Our intent here is to allow the user to mix-and- match sub-algorithms as they see fit. For that reason, the presentations of the algorithms in this section are more generalized than many of the original manuscripts. As part of Established Fragment Based Methods, we provide context on how to recover the original methods, as faithfully as GhostFragment allows.

Contents

• Fragmentation Algorithms
  • FEA Fragmentation Method
  • MFCC Fragmentation Method
  • Molecular Tailoring Approach Fragmentation
  • Systematic Molecular Fragmentation Fragmentation Method
  • Divide and Conquer Local Correlation Fragmentation Method
  • GEBF Fragmentation Methods
  • Other Fragmentation Algorithms
• Capping Methods
  • H Capping
  • Other Types of Caps
  • FMO Capping Method
• Embedding Algorithms
  • Density Embedding
  • Point Charge Embedding
• Screening Methods
  • Distance Based Screening Procedures
  • SMF Screening Method