Abstract
SHS investigation development is considered from the geographical and historical viewpoint. 3 stages are described. Within Stage 1 the work was carried out in the Department of the Institute of Chemical Physics in Chernogolovka where the scientific discovery had been made. At Stage 2 the interest to SHS arose in different cities and towns of the former USSR. Within Stage 3 SHS entered the international scene. Now SHS processes and products are being studied in more than 50 countries.
Abstract
The application of QSAR/QSPR techniques and computer-aided modelling
are considered valuable tools to initiate the search for new drugs, and nowadays, these
are being intensively used for this purpose. Trustworthy models can provide insight
into the structural characteristics that may influence the drug inhibitory activity,
drastically improving the success and the pace of the development of more effective
drugs with weaker secondary effects. The present book chapter revises and comments
on different recent QSAR/QSPR applications conducted in medicinal chemistry field in
the last five years (2016-2020), developed on various interesting biological activities
and physicochemical properties of drug compounds.
Keywords:
QSAR/QSPR theory, Medicinal chemistry, Molecular descriptors, Drug compounds, Multivariable linear regression, CORAL software, Monte carlo method, Pharmaceutical, Validation, In silico design, Biological activity, CoMFA and CoMSIA, Molecular docking, Consensus model, Machine learning, Drug-drug interaction, OECD guidelines.
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Authors:Bentham Science Books