Central Nervous System (CNS) drugs are special in the sense that they have to penetrate the Blood-Brain Barrier (BBB) in order to…

The Hydrogen Bond Donor-Acceptor Plugin calculates atomic hydrogen bond donor and acceptor inclination. Atomic data and overall h…

The Hückel Analysis Plugin is able to calculate different structural descriptors for aromatic atoms. Localization energies L(+) a…

The Refractivity Plugin is able to calculate molar refractivity. This descriptor is strongly related to the volume of the molecul…

The Structural Frameworks Plugin calculates Bemis-Murcko frameworks and other structure-based reduced representations for the inp…