HDAC2 SCAN: An Expert System for Virtual Screening of Histone Deacetylase 2 Inhibitors

Histone deacetylase 2 inhibitors (HDAC2) are developed as effective drugs for the treatment of various diseases. Using various types of molecular descriptors, several adequate Quantitative Structure–Activity Relationship regression models for acute toxicity (LD 50 , rats, orally) of HDAC2 inhibitors have been proposed. The created adequate models are integrated into the developed HDAC2 SCAN application, freely available at https://hdac2scan.streamlit.app/ . The HDAC2 SCAN application can be used for virtual screening.