Institution: NextMove Software

sayle

Efficient simultaneous matching of multiple SMARTS using the ChemAxon toolkits

Sep 28, 2011 - Presentation
The use of SMARTS patterns for pattern matching has become ubiquitous in cheminformatics, and efficient implementations exist for identifying one or more instances of a user-defined subst…
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…
D2_04_Roger_Sayle

Implementing ISO standard 11238 compliance with ChemAxon tools

May 21, 2014 - Presentation
Without standards the world would be a place of utter chaos. With the ever increasing complexity of modern life, standards specifications ensure interoperability between the multitude of…
Product group: Naming
rogersayle

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…
example

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…
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Benchmarking and Validation of JChem ECFP and FCFP Fingerprints

May 18, 2011 - Poster
The cornerstone of pharmaceutical chemistry is Crum Brown’s observation that similar compounds have similar therapeutic benefits. Cheminformatics tries to capture this insight by defini…