Virtual Laboratory Software

Virtual Computational Chemistry Laboratory

on-line software

ALOGPS 2.1* is the most accurate program to predict lipophilicity and aqueous solubility of molecules
ASNN* calculates highly predictive non-linear neural network models
E-BABEL is molecular structure information interchange hub
PNN produces clearly interpretable analytical non-linear models
PCLIENT generates more than 3000 descriptors
E-DRAGON calculates DRAGON molecular indices
PLS implements original two-step descriptors selection procedure
UFS produces a reduced data set that contains no redundancy and a minimal amount of multicollinearity

If you have any questions, problems to run applets, please, contact

ON-LINE
SOFTWARE
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