A novel ensemble based recommendation approach using network based analysis for identification of effective drugs for Tuberculosis
| Autor: | Swathi Jamjala Narayanan, Rishin Haldar |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Tuberculosis
Computer science Antitubercular Agents Machine learning computer.software_genre drug discovery drug resistant tuberculosis medicine mtb QA1-939 Humans network based recommendation business.industry Applied Mathematics General Medicine Mycobacterium tuberculosis medicine.disease Computational Mathematics ensemble ranking Modeling and Simulation Identification (biology) Artificial intelligence pharmacokinetic properties General Agricultural and Biological Sciences business computer TP248.13-248.65 Mathematics Biotechnology |
| Zdroj: | Mathematical Biosciences and Engineering, Vol 19, Iss 1, Pp 873-891 (2022) |
| ISSN: | 1551-0018 |
| Popis: | Tuberculosis (TB) is a fatal infectious disease which affected millions of people worldwide for many decades and now with mutating drug resistant strains, it poses bigger challenges in treatment of the patients. Computational techniques might play a crucial role in rapidly developing new or modified anti-tuberculosis drugs which can tackle these mutating strains of TB. This research work applied a computational approach to generate a unique recommendation list of possible TB drugs as an alternate to a popular drug, EMB, by first securing an initial list of drugs from a popular online database, PubChem, and thereafter applying an ensemble of ranking mechanisms. As a novelty, both the pharmacokinetic properties and some network based attributes of the chemical structure of the drugs are considered for generating separate recommendation lists. The work also provides customized modifications on a popular and traditional ensemble ranking technique to cater to the specific dataset and requirements. The final recommendation list provides established chemical structures along with their ranks, which could be used as alternatives to EMB. It is believed that the incorporation of both pharmacokinetic and network based properties in the ensemble ranking process added to the effectiveness and relevance of the final recommendation. |
| Databáze: | OpenAIRE |
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