Molecular scaffold analysis using OCHEM

presentation · 7 years ago
by Ahmed Abdelaziz (eAdmet)
Calculator Plugins (logP logD pKa etc...)
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 discovering scaffold related to AMES toxicity where known toxicophore could be automatically detected. eAdmet (Ahmed Abdelaziz)