MixtureMetrics: A comprehensive package to develop additive numerical features to describe complex materials for machine learning modeling
Multi-component materials/compounds and polymeric/composite systems pose structural complexity that challenges the conventional methods of molecular representation in cheminformatics, which have limited applicability in such cases. Therefore, we have introduced an innovative structural representatio...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-12-01
|
| Series: | SoftwareX |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711024002814 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|