Author: Anna Lovrics

Does a 3D shape based method differ from a molecular descriptor based similarity in its ability to predict biological activity?

May 10, 2017 - Presentation
Similarity of molecular structures is data-set dependent. The DTP’s NC60 panel is a collection of 60 cancerous cell lines maintained by the National Cancer Institute (NCI). Since 1990 t…
academyposter

Analysis of the NCI60 drug toxicity patterns using ChemAxon's 3D alignment tool

May 20, 2014 - Poster
The NCI-60 panel is a collection of 60 human cancerous cell lines maintained by the National Cancer Institute. Since 1990 more than 100,000 chemical compounds and natural products have be…