Molecular descriptors as proxies for the modeling of the materials and their environmental impact
For the prediction of material's properties and of interaction of molecules with the surroundings, one needs to know their properties. Usually, the molecular properties are revealed through experimental measurements. It can be a tedious, time-consuming, and costly work. On the other hand, compu...
Saved in:
| Main Author: | Ivan Juranić |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Engineering Society for Corrosion, Belgrade
2016-09-01
|
| Series: | Zaštita Materijala |
| Subjects: | |
| Online Access: | https://www.zastita-materijala.org/index.php/home/article/view/655 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Cycle-configuration descriptors: a novel graph-theoretic approach to enhancing molecular inference
by: Bowen Song, et al.
Published: (2025-08-01) -
CombinatorixPy: Advancing mixture descriptors for computational chemistry
by: Rahil Ashtari Mahini, et al.
Published: (2025-02-01) -
Graph-theoretic and computational analysis of QSAR molecular descriptors for single chain diamond silicates
by: S. Mohankumar, et al.
Published: (2025-05-01) -
Quadratic descriptors and reduction methods in a two-layered model for compound inference
by: Jianshen Zhu, et al.
Published: (2025-01-01) -
Generalizable, fast, and accurate DeepQSPR with fastprop
by: Jackson W. Burns, et al.
Published: (2025-05-01)