Cheminformatics

(redirected from Cheminformatic)
The field of chemistry that integrates chemical data with analytic and molecular design tools finding the 'best- fitting' compounds to address particular targets; cheminformatics encompasses diversity analysis and library design, virtual screening, rational drug design, and tools and approaches for predicting activity and other properties from structure
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CHAPTER 4 BIOINFORMATICS: DATA GENERATION AND DATA MANAGEMENT 22 POST-GENOME ERA 22 ADVANCES IN GENOMICS 22 SEQUENCING GENOMICS 22 FUNCTIONAL GENOMICS 23 ADVANCES IN PROTEOMICS 24 FIGURE 3 KEY ASPECTS OF PROTEOMICS 24 QUALITATIVE PROTEOMICS 25 QUANTITATIVE PROTEOMICS 26 STRUCTURAL PROTEOMICS 26 INTERACTION PROTEOMICS 26 TRANSCRIPTOMIC ADVANCES 27 METABOLOMIC ADVANCES 28 CHEMINFORMATIC ADVANCES 29 TABLE 4 CHEMOINFORMATIC SOFTWARE SOLUTIONS FOR DRUG RESEARCH AND DEVELOPMENT 31 EMERGING TECHNOLOGIES 32 PHARMACOGENOMIC ADVANCES 32 TOXICOGENOMIC ADVANCES 34 EPIGENOMIC ADVANCES 35 DATABASE MANAGEMENT SERVICES 36 TABLE 5 ARCHIVAL DATABASE EXAMPLES 37 TABLE 6 CURATIVE DATABASE EXAMPLES 39 TABLE 7 COMMERCIALLY AVAILABLE DATABASE EXAMPLES 40 MARKET DYNAMICS 41
InforSense ChemSense offers robust support for multiple cheminformatic vendors
Following cloning and sequencing, the DNA code is deciphered using a cheminformatic process to interpret which small molecules had bound to the target ("hits").
Able to be used within any cheminformatics platform, ChemAxon's Calculation Plugins are implemented within Marvin and JChem, ChemAxon's suites of cheminformatic and discovery toolkits.
Each of DeltaSoft's current products takes advantage of leading computer technology standards, such as Java, Microsoft, Oracle and web application services, can link multiple cheminformatic platforms transparently and also provide easy to use interfaces for the research scientist.
4SC is a drug discovery and development company that uses its cheminformatic based technological platform for the development of new drug candidates.
The partnership will allow pharmaceutical companies to speed lead identification and lead optimization phases of the drug discovery process and will result in the development of novel cheminformatic and molecular design software that was previously impossible or impractical.
Anvil's extensible analytic software application, the AnVil Data Analysis Platform Technology (ADAPT), facilitates efficient analysis of clinical, genomic, proteomic, cheminformatic and other life sciences data.
Through careful planning and execution, we are putting the necessary resources in place to become the leader in the important field of advanced genomic and cheminformatic data mining.
4SC has proven that their innovative cheminformatic approach dramatically reduces timelines in the drug discovery process and we look forward to continuing this rewarding collaboration," commented Dr Avi Sartani, V.
This collaboration confirms that our time and cost-efficient cheminformatic approach for the development of new drug candidates appeals to a global pharmaceutical player such as Schering," stated Dr.
Currently, LeadScope is focused on its cheminformatic tools for drug research, to be used in lead identification and optimization.
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