Open3dqsar
: Written in C, the software features optimized memory management and parallelized code execution.
The mathematical background of 3D-QSAR is based on the concept of molecular descriptors, which are used to describe the physicochemical properties of molecules. These descriptors can be calculated using various algorithms, including: open3dqsar
: Green contours highlight regions where bulky chemical groups increase biological activity. Yellow contours highlight areas where bulk decreases activity. : Written in C, the software features optimized