Institution: Novartis

Compliance Checker

Sep 14, 2016 - Presentation
Compliance Checker is a combined software system and content package providing a way to check whether your compounds are controlled according to the relevant laws of the countries of inte…

Building on the Instant JChem platform at NIBR

May 20, 2014 - Presentation
Instant JChem (IJC) was first introduced at NIBR as a replacement for a number of legacy applications. Driven by the very positive response from our chemistry community, we have fully int…

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…

Migrating away from ISIS with ChemAxon's help

Sep 25, 2012 - Presentation
ISIS software has been used at Novartis for years to draw structures, manage personal substance and reaction collections, access shared databases. Last year NIBR IT decided to move to a m…

What else can you do with the Markush cartridge? Tracking chemical series for project teams

May 19, 2015 - Presentation
We have developed a new application that allows scientist to store and search generic scaffold structures. This was possible thanks to the Markush extension for the ChemAxon JChem Cartrid…

A new system for searching legacy and ELN reaction data

May 23, 2012 - Presentation
In a collaboration with ChemAxon we have developed a web-based interface for searching and browsing chemical reaction data. The system was designed to accommodate data from both an histor…

Moving away from ISIS software with ChemAxon's help

May 22, 2012 - Presentation
ISIS software has been used for years within the Novartis Institutes for BioMedical Research (NIBR) to draw structures, manage personal substance and reaction collections, and access shar…
gregory landrum

What else can you do with the Markush cartridge? Tracking chemical series for project teams.

Sep 26, 2014 - Presentation
In a collaboration with ChemAxon we have developed a web-based interface for searching, browsing and managing chemical information.

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 …

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…

The Pistoia Alliance: An Emerging Cross-pharma Collaboration

Aug 7, 2008 - Presentation
An Open Source initiative known as the Pistoia Partnership has been established to streamline non-competitive elements of the pharmaceutical drug discovery workflow by the specification o…

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 Entity extraction using the

Jun 4, 2009 - Presentation
We will present an early implementation of the (chemical entity recognition + name2struct) into a tool that is used for text mining purposes. This will enable u…

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) …

The design of an interactive compound reporting web application

Sep 30, 2015 - Presentation
Compound Report complements existing SAR tools, where all data collected for a few given compounds are rendered in a compact report format. The previous-generation Compound Report applic…

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…

Prediction of Adverse Drug Reactions Using Decision Tree Modeling

Mar 10, 2010 - Publication
Drug safety is of great importance to public health. The detrimental effects of drugs not only limit their application but also cause suffering in individual patients and evoke distrust o…

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 …

Annotating and mining the ligand-target chemogenomics knowledge space

Aug 25, 2004 - Publication
The ligand-target matrix is the core element of the chemogenomics knowledge space. Its content is derived from different chemical and biological data sources, which need to be integrated,…

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…