| HAcc |
Implements hydrogen bond acceptor atom count as a scalar descriptor.
|
| HBParameters |
Manages parameters for the HDon and HAcc scalar
descriptor classes.
|
| HDon |
Implements hidrogen bond donor atom count as a scalar descriptor.
|
| Heavy |
Implements HeavyAtomCount (number of non-hydrogen atoms) as a scalar descriptor.
|
| LDParameters |
Manages parameters for the LogD scalar descriptor class.
|
| LogD |
Implements logD value as a scalar descriptor.
|
| LogP |
Implements LogP value as a scalar descriptor.
|
| Mass |
Implements Mass (total mass of molecule) value as a scalar descriptor.
|
| TPSA |
Implements TPSA (Topological Polar Surface Area) value as a scalar descriptor.
|