cheminformatics

He has was one of the first chemists to develop open source tools for cheminformatics.

Cheminformatics can also be applied to data analysis for the paper, pulp and dye industries.

Willett is best known for his contribution to information retrieval and cheminformatics.

One way to do this is chemical similarity metrics, which has a long tradition in the field of cheminformatics.

Due to the strong relationship to informatics this program belongs more to the category cheminformatics than to molecular modelling.

MCS algorithms have a long tradition in cheminformatics and pharmacophore mapping.

Taverna is used by users in many domains, such as bioinformatics, cheminformatics, medicine, astronomy, social science, music, and digital preservation.

ChemAxon is a software company specializing in application programming interfaces and end user applications for cheminformatics and life science research.

Cheminformatics (also known as chemoinformatics)

Cheminformatics (also known as chemoinformatics and chemical informatics) is the study of large amounts of chemical information.

Over the years the system evolved to address applications in many other areas including bioinformatics, cheminformatics, health informatics, text mining and financial and business applications.

NovaMechanics Cheminformatics Research Combined structure & ligand based chemistry driven virtual screening.

In cheminformatics and in mathematical chemistry, graph isomorphism testing is used to identify a chemical compound within a chemical database.

Primarily geared towards drug discovery and design, areas of application include structure generation, docking, shape comparison, charge/electrostatics, cheminformatics and visualization.

P.G Diploma in Cheminformatics (Two semesters)

It is developed and distributed by Accelrys, a company specializing in research software for computational chemistry, bioinformatics, cheminformatics, molecular simulation, and quantum mechanics.

Computational, cheminformatics, and structural studies for the identification or SAR analysis of bioactive molecules, ligands and their targets, etc.

Dr. Bryant also leads NCBI information resource teams in protein structure, protein family classification, and cheminformatics.

Chou's invariance theorem, named after K. C. Chou, is a result deployed in bioinformatics and cheminformatics related to multivariate statistics.

After moving to London and while blogging as Belle de Jour she also worked as a computer programmer in cheminformatics at InforSense.

OpenEye has employed a number of notable people in cheminformatics, including Roger Sayle, developer of RasMol.

It is useful in graphics, cheminformatics to compare molecular structures, and also bioinformatics for comparing protein structures (in particular, see root-mean-square deviation (bioinformatics)).

Cheminformatics (also known as chemoinformatics and chemical informatics) is the use of computer and informational techniques applied to a range of problems in the field of chemistry.

It is developed and distributed by Accelrys, a company that specializes in scientific software products covering computational chemistry, computational biology, cheminformatics, molecular simulations and Quantum Mechanics.

As subgraph isomorphism has been applied in the area of cheminformatics to find similarities between chemical compounds from their structural formula; often in this area the term substructure search is used.