Registration Number
0210U005187,
0109U007123
, R & D reports
Title
Predictive expert system for compound-P450 cytochrome interactions.
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Head
Kovalishyn V.V., к.х.н.
Registration Date
20-07-2010
Organization
Institute of Bioorganic Chemistry and Petrochemistry of National Academy of Sciences of Ukraine
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The current research project will focuses on creation of predictive toxicity-based expert system on the base Electronic-Topological Method (ETM) and artificial neural networks (ANNs). The predictive expert system will provide qualitative and quantitative assessment of molecules with respect to their ability to inhibit or activate CYP 450. The data required to build the model, will be collected from the literature and/or received from Pharma industry (under negotiation). We will develop individual models for several isoforms of CYP450, namely 1A2, 2C9, 2C19, 2D6, and 3A4, which account for more than 60% of the total hepatic CYPs.
Product Description
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Ковалішин В.В.
Прокопенко В.В
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2020-04-02
