Institution: eAdmet


Molecular scaffold analysis using OCHEM

May 29, 2013 - Presentation
Molecular scaffold analysis allows users to. Using OCHEM, users can compare molecule sets for the statistical significance of scaffolds in a particular set. An example will be shows for d…
Product group: Discovery toolkit

eAdmet Overview

May 17, 2011 - Presentation
The Online Chemical Modeling Environment is a web-based platform that aims to automate and simplify the typical steps required for QSAR modeling. The platform consists of two major subsys…
Product group: Discovery toolkit

A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition

May 20, 2011 - Publication
Prediction of CYP450 inhibition activity of small molecules poses an important task due to high risk of drug–drug interactions. CYP1A2 is an important member of CYP450 superfamily and a…