Development of novel 3D pharmacophore signatures which are unique identifiers of pharmacophores and which can be applied for (i) library design to select compounds in order to better cover pharmacophore space, (ii) development of ligand-based pharmacophore models, (iii) screening.
Computationally guided optimization of compound properties. Development of a platform for multi-objective optmizations of compound properties based on computational models (QSAR, pharmacophore, docking, etc) which may be particularly useful for optimization of ADME properties.
If you are interested in any of these topics please contact me:
Pavel Polishchuk, PhD. - firstname.lastname@example.org or email@example.com