Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing

Author:

Kovalishyn Vasyl1,Grouleff Julie2,Semenyuta Ivan1,Sinenko Vitaliy O.1,Slivchuk Sergiy R.1,Hodyna Diana1,Brovarets Volodymyr1,Blagodatny Volodymyr3,Poda Gennady24,Tetko Igor V.56ORCID,Metelytsia Larysa1

Affiliation:

1. Institute of Bioorganic Chemistry and Petrochemistry; National Academy of Science of Ukraine; Kyiv Ukraine

2. Drug Discovery Program; MaRS Centre; Ontario Institute for Cancer Research; Toronto ON Canada

3. P.L. Shupyk National Medical Academy of Postgraduate Education; Kyiv Ukraine

4. Leslie Dan Faculty of Pharmacy; University of Toronto; Toronto ON Canada

5. Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH); Neuherberg Germany

6. BIGCHEM GmbH; Neuherberg Germany

Funder

Ontario Institute for Cancer Research

Government of Ontario

Publisher

Wiley

Subject

Molecular Medicine,Biochemistry,Drug Discovery,Pharmacology,Organic Chemistry

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