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Polishchuk Pavlo Ph.D., M.Sc.

Journals

EasyDock: customizable and scalable docking tool. Journal of Cheminformatics. 2023, 15(1), 102, ISSN: 1758-2946, PMID: 37915072,
ZANKOV, D., T. MADZHIDOV, P. POLISHCHUK, P. SIDOROV, A. VARNEK
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts. Journal of Chemical Information and Modeling. 2023, ISSN: 1549-9596, PMID: 37902548,
JURÁŠEK, M., J. ŘEHULKA, L. HRUBÁ, A. IVANOVA (NIKONENKO), S. GURSKÁ, O. MOKSHYNA, P. TROUSIL, K. HUML, P. POLISHCHUK, M. HAJDÚCH, P. DRAŠAR, P. DŽUBÁK
Triazole-based estradiol dimers prepared via CuAAC from 17α-ethinyl estradiol with five-atom linkers causing G2/M arrest and tubulin inhibition. Bioorganic Chemistry. 2023, 131(2023), 106334, ISSN: 0045-2068, PMID: 36592487, DATA.

Books & book chapters

Multi-instance Learning for Structure-Activity Modeling for Molecular Properties, 1.vyd, Kazan, Springer, 2021, 7, 62-71, Dedication: RFMEFI57518X0177, ISBN: 978-3-030-39574-2,
TINKOV, O., P. POLISHCHUK, V. GRIGOREV, Y. POROZOV
The Cross-Interpretation of QSAR Toxicological Models, 1.vyd., Springer, Cham, 2020, 262-273, ISBN: 978-3-030-57820-6,
POLISHCHUK, P., E. MOKSHYNA, A. KOSINSKAYA, A. MUATS, M. KULINSKY, O. TINKOV, L. OGNICHENKO, T. KHRISTOVA, A. ARTEMENKO, V. KUZMIN
Structural, Physicochemical and Stereochemical Interpretation of QSAR Models Based on Simplex Representation of Molecular Structure, 1st, Springer International Publishing, 2018, 4, 107-147, ISBN: 978-3-319-56849-2,

Doctoral mentorship

Matveieva Mariia

Automatic mining of relationships between structure and activity in chemical databases

Stav: Absolvoval od 2016 do 2022.
Minibaeva Guzel

De novo design of syntheticaly feasible molecules

Stav: Probíhající od 2022.
Ivanova (Nikonenko) Aleksandra

In silico design of compounds with desired properties

Stav: Probíhající od 2019.

Master mentorship

Švec Dávid

Data-driven optimization of compound properties and exploration of a chemical space

Stav: Absolvoval od 2016 do 2019.

Open positions

Projekt: Postdoctoral fellow/Researcher
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Postdoktorandské studium
Souhrn: The group of chemoinformatics and drug design at the Institute of
Molecular and Translational Medicine, Faculty of Medicine and
Dentistry, Palacky University in Olomouc, Czech Republic
(https://imtm.cz/laboratories/chemoinformatics-and-drug-design) seeks
for a postdoctoral fellow with experience in chemoinformatics and
programming.

The primary objective of the group is development of new computational
approaches and software tools in drug design and their application in
medicinal chemistry projects on hit/lead identification/optimization
and target identification.

The successful candidate will be mainly involved into the project on
de novo fragment-based drug design and optimization. He/she will
implement new and improve existing tools and approaches, validate them
retrospectively and apply those tools in ongoing medicinal chemistry
projects conducting at our institution in close collaboration with
medicinal chemists and biologists. The candidate can be involved in
other research projects depending on his/her experience and skills.

The formal requirements:
PhD in chemistry, chemoinformatics, computer science or related
fields or 3 years of experience in relevant fields
experience with molecular docking/pharmacophore modeling/machine
learning
knowledge of RDKit
good Python programming skills and experience in software
development
data analysis skills
basic medicinal chemistry knowledge is a plus
good publication record
excellent writing and spoken English

The position will be opened for 2-3 years with a possibility of
extension.

Informal inquiries as well as applications, including curriculum vitae
and bibliography, cover letter describing candidate research interests
and past accomplishments should be sent via email to
pavlo.polishchuk@upol.cz.
Projekt: Explainable artificial intelligence in chemoinformatics
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Doktorské studium
Souhrn: 1 place in full-time study
Projekt: Multi-instance learning in chemoinformatics
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Doktorské studium
Souhrn: 1 place in full-time study
Projekt: Chemoinformatic approaches to drug design based on fragments
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Doktorské studium
Souhrn: 1 place in full-time study
Projekt: Modeling of biologically active compounds based on ligands and structure
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Doktorské studium
Souhrn: 1 place in full-time study
Projekt: Development of 3D pharmacophore signatures and their application in anticancer drug design
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Doktorské studium
Projekt: Ligand- and structure-based modeling of biologically active compounds
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Doktorské studium
Projekt: Novel 3D pharmacophore representation for machine learning
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Magisterské studium
Projekt: Applicability domains in machine learning modeling
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Magisterské studium
Projekt: Computationally guided optimization of compound properties
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Magisterské studium
Projekt: Fragment-based de novo design using pharmacophore models
Vedoucí: Polishchuk Pavlo Ph.D., M.Sc.
K dispozici: 1
Určeno pro: Magisterské studium