Author: Daniel M. Lowe

daniel lowe

Recent Improvements in Marvin 6.0 Version: Reaction Atom Mapping and its Application to Reaction Validation in Pharmaceutical ELNs

Sep 25, 2013 - Presentation
Automatic atom mapping attempts to determine the correspondence between the atoms of the reactants and products of a chemical reaction. Such mappings are useful for allowing greater speci…

Advances in automatic chemical spelling correction

Aug 19, 2012 - Presentation
With the impressive progress made in chemical name-to-structure software, the major cause of failing to identify chemical entities in documents is decreasingly the complexity of the molec…

Chemical text mining for current awareness of pharmaceutical patents

Aug 19, 2012 - Presentation
The increasing rate of pharmaceutical patent publication makes keeping current in medicinal chemistry ever more difficult for the practising research chemist. The USPTO alone publishes ov…

Chemical Name to Structure: OPSIN, an Open Source Solution

Mar 9, 2011 - Publication
We have produced an open source, freely available, algorithm (Open Parser for Systematic IUPAC Nomenclature, OPSIN) that interprets the majority of organic chemical nomenclature in a fast…