Molecular Modelling web server: A reagents database & tool for drug discovery

poster · 16 years ago
by Fanny Bonachera (Université de Lille)
Standardizer JChem Base

MolMod is both a reagents database and a tool for drug discovery. It uses ChemAxon tools and APIs to provide ways to store, search and filter reagents and their containers thanks to several kinds of criterias (structure, sub-structure, vendor, formula, molecular weight, activity...) It also allows to perform virtual reactions between user-given molecules or between every reagents stored in the database, in order to create new compounds. Finally, it includes descriptors searches (ie Fuzzy Tricentric Pharmacophores) and similarity searches, on user-given molecules or on databases reagents.