This article deals with the analysis of literature and research results in the field of in silico technologies. The information of the main in silico methods is summarized. The main principles of molecular docking, homology modelling method, virtual screening, pharmacophore modelling and QSAR have been examined. The attention is paid to the use of in silico approaches in toxicology. It has been shown that in silico methods play the key role in creating new drugs and optimization of the leading compounds and already existing drugs.
Key words: in silico, molecular docking, virtual screening, pharmacophore, QSAR