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computional chemistry


Selvita employs a team of very experienced and skilled computational chemists. Computational chemistry team members have broad expertise in organic chemistry, together with a broad understanding of biological concepts related to cellular drug targets, toxicology and pharmacology.

Our offer in the area of computational support for drug discovery includes:


 computational chm 2
Essential areas:
  • Use of computing power to streamline drug discovery and development process
  • Leverage of chemical and biological information about ligands and/or targets to identify and optimize new drugs
  • Design of in silico filters to eliminate compounds with undesirable properties (poor activity and/or poor Absorption, Distribution, Metabolism, Excretion and Toxicity, ADMET) and select the most promising candidates
  • Scientific Compound Management