Chemoinformatics Is The Field Of Cheminformatics And Chemical Informatics
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Cheminformatics term was coined for the first time by F.K. Brown and it's defined as "the field of chemistry that integrates chemical data with analytic and molecular design tools finding the 'best- fitting' compounds to address particular targets". It can be called also "chemoinformatics", "chemioinformatics" or "chemical informatics". In silico techniques are used in cheminformatics for a wide range of applications, such as in rotational drug design or in drug diversity, using the structure for predication of the activity and in virtual screening. This was first applied in the making of the period table
Data is collected and the patterns are recognized, in order to understand the physical properties, and further to visualize the data as…show more content… Where having a background knowledge of chemistry is important to understand the theoretical principles such as the chemical bonding and reaction pathways. Some biological and medical understanding is also important. Then next step is applying the mathematical methods to the scientific problems, Through the use of the analytics skills. For that Proficiency in various levels of programming languages is needed. Along with code development, software architecture skills, Computer modelling and statistical analysis methods. Other skills required are Problem-solving skills, Critical thinking, ability to work with and extract information from large datasets, adapting and integrating computer software to solve new categories of problems, as well as the skills in communication and the ability to work in teams are important.
More than 45 million chemical compounds are known and the number may increase in million every year, without cheminformatics, the access of these huge amounts of information is very difficult.
Many soft wares and tools were developed to help in storing, retrieving and processing the data, some examples of these tools…show more content… 4- Tools for simulation and analysis of variouschemical structures such as polymers and nucleotides, example is AmberTools.
5- Tools for retrievinginformation of small molecules such as Pubchem.
6- Chemical data mining tools such as LogCHEM, PLSR, Wendi and ChemMine.
There is a wide range of applications for the field of cheminformatics, including:
1- collection of related chemical data from different sources, arranging the data and storing it into special chemical libraries and databases.
2- Using the available data to predict the physical and chemical properties of various chemical compounds.
3- Using the spectroscopic data of various chemical compounds to explain their structure.
4- searching in the chemical compounds for a specific desired activity, which known as (HTS) or High Throughput Screening.
5- Use of docking for the study of the diversity of drugs.
6- Developing of new tools, for all the new fields of studying, and developing programs for data mining and analysis of huge databases.
7- finding new solutions for various problems in the search and retrieval of data.
8- Using mathematical techniques to treat large databases and identifying the chemical properties and