Institution: Genomics Institute of the Novartis Research Foundation


Excel as a Cheminformatics Interface

Sep 28, 2011 - Presentation
Commercial add‐in programs introduce chemical intelligence into Excel, therefore enable Excel to become a serious development platform candidate for Cheminformatics applications. We wil…

An Educational Tool for Learning Substructure Search

Sep 15, 2009 - Presentation
Substructure searches provide expected results, only if users are familiar with the structure query language. Understandably teach and practice are the best ways to improve such language …

Large-Scale Annotation of Small-Molecule Libraries Using Public Databases.

Aug 7, 2008 - Presentation
The recent rapid expansion of the NIH PubChem database provides an opportunity to link existing biological data-bases with compound catalogs and provides relevant information that potenti…

Chemical-Text Hybrid Search Engines

Jan 4, 2010 - Publication
As the amount of chemical literature increases, it is critical that researchers be enabled to accurately locate documents related to a particular aspect of a given compound. Existing solu…

Using ChemAxon Toolkits in the GNF Lead Discovery Database

May 20, 2005 - Presentation
The informatics team at the Genomics Institute of the Novartis Research Foundation (GNF) has been developing a comprehensive lead discovery database (LDDB) in order to support an aggressi…

Chemical-text hybrid search engines

Sep 14, 2010 - Presentation
Is there an informatics tool that can accurately identify all documents within a corporate network that describe certain associations between a chemical compound (e.g., a Gleevec analog) …

A Novel SAR-Driven Approach for Identifying True High-Throughput Screening Hits

Jun 8, 2006 - Poster
Modern drug discovery relies heavily on large-scale high-throughput screening (HTS) to identify potential starting points for medicinal chemistry optimization. The typical “top X” act…

Large-Scale Annotation of Small-Molecule Libraries Using Public Databases

Mar 7, 2007 - Publication
While many large publicly accessible databases provide excellent annotation for biological macromolecules, the same is not true for small chemical compounds. Commercial data sources also …

HierS: Hierarchical Scaffold Clustering Using Topological Chemical Graphs

Apr 8, 2005 - Publication
An exhaustive ring-based algorithm, HierS, has been developed in order to provide an intuitive approach to compound clustering for analyzing high-throughput screening results. The recursi…
Study Frequent High-throughput Screening Hits

Study Frequent High-throughput Screening Hits

Nov 1, 2012 - Presentation
It has been noted that certain compounds frequently appear as hits in many high-throughput screening campaigns. The typical practice of removing frequent hits based on their empirical hi…