Tools for the "Big Guys": Towards Registration of Large Bio-Molecules

presentation · 5 years ago
by Roland Knispel (ChemAxon)
Biologics Registration HELM Editor

Today's drug development is challenged with the increasing interlacing of biological and synthetical processes. HELM, an emerging notation standard created by Pfizer scientists for the representation of a wide range of large biomolecular entities has recently been made freely available by the Pistoia Alliance. Its main driver being the capability to express these Biologics in a concise format on various abstraction levels, from exposing the modularity of multi-component entities, to sequence representation of natural and un-natural residues, and further down to exact atomical description of post-translational modifications and other chemical features. This presentation will demonstrate an early version of a novel webservice-based toolkit, which leverages simple structure-driven registration of large biomolecules by integrating the Open Source HELM tools - a reference implementation consisting of a notation toolkit and a graphical editor for drawing these molecules - with JChem Base and Marvin components.

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