free chemist
of the hour:
Reinhard Maurer
Best viewed with
_
Dragon is the software for the calculation of molecular descriptors. These descriptors can be used to evaluate molecular structure-activity relationships, as well as for similarity / diversity analysis and high-throughput screening of molecule databases.
QikProp efficiently evaluates pharmaceutically relevant properties for over half a million compounds per hour, making it an indispensable lead generation and lead optimization tool.
ALMOND is a program specifically developed for generating and handling alignment independent descriptors called GRIND (GRid INdependent Descriptors).
CompuDrug's PrologP calculates the accurate logP values for organic compounds.
VolSurf is a computational procedure to produce 2D molecular descriptors from 3D molecular interaction energy grid maps.
webmaster@freechemical.info
