Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening.
This work introduces a number of algebraic topology approaches, including multi-component persistent homology, multi-level persistent homology, and electrostatic persistence for the representation, characterization, and description of small molecules and biomolecular complexes. In contrast to the co...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2018-01-01
|
| Series: | PLoS Computational Biology |
| Online Access: | http://europepmc.org/articles/PMC5774846?pdf=render |