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Information × Registration Number 0226U002258, (0125U002249) , R & D reports Title Functionalised organometallic compounds with controlled physicochemical parameters for the creation of novel drugs and materials popup.stage_title Дизайн наборів сполук для вивчення ефектів замісників на фізико-хімічні параметри. Розробка нових процедур для синтезу нових будівельних блоків. Head Hryhorenko Oleksandr O., Доктор хімічних наук Registration Date 12-02-2026 Organization Taras Shevchenko National University of Kyiv popup.description1 Creation and development of a novel concept of ‘programmable building blocks’ (PBBs). The main idea lies in application of organometallic building blocks, which hava a predefined effect on the physical and chemical parameters of the target structure upon introduction into the latter structure. By combining the usefulness of the SAR method (which has been known for more than half a century and is extremely widespread in all fields of chemistry) and the concept of building blocks (which generally means small molecules with a given point of functionalisation or coupling), the PBB approach will allow the creation of libraries of compounds aimed at controlled modification of the physicochemical parameters of complex organic and metal-organic compounds without affecting other useful properties. popup.description2 The aim of this work is to develop and test a new concept of organoelement building blocks with a known predetermined effect on the physicochemical parameters of the target structure – “programmable building blocks” (PBB). Combining the usefulness of the SAR method and the concept of building blocks, the PBB approach will allow the creation of libraries of compounds aimed at the controlled modification of the physicochemical parameters of complex organic and metal-organic compounds without violating other useful properties. The basis of this concept are several separate practically obtained results, which can be formulated as project tasks: 1. Design and development of synthetic approaches to unknown building blocks and ligands, in particular, with fluorinated and/or boron-containing substituents, including those based on mono-, bi-, spirocyclic or condensed saturated heterocycles. 2. Establishing the regularities of the physicochemical properties of the synthesized building blocks and the products of their further modifications. Along with the already classical measurements of their lipophilicity and acid-base properties, a more in-depth study of both their biological properties and the stereoelectronic effects of previously unknown fragments is planned. 3. In order to generalize the concept of PBB, a statistical analysis of the obtained results will be carried out. Given the significant volume of the data obtained, as well as their significant diversity and multifacetedness, it is expected that the general analysis will be carried out using AI. Using the machine learning method, in cooperation with specialists in the relevant field, the main regularities of the influence of the structure and substitution method on the properties of the proposed compound as a programming building block will be determined. Product Description popup.authors Kostiantyn P. Melnykov Natalia Kotova Hryschuk Oleksandr V. Oleksandr Liashuk Kamila Laniush popup.nrat_date 2026-02-12 Close