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| ChemModLab Documentation
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Tutorial on how to use ChemModLab- Start Here!
Classifiers and other Prediction methods:
•ElasticNet, ENet
•k-nearest neighbors, KNN
•Least angle regression, LARS
•Neural networks, NNet
•Partial least squares, PLS
•Partial least squares—linear discriminant analyis, PLSLDA
•Principal components regression, PCR
•Random forest, RF
•Recursive partitioning, Tree
•Recursive partitioning, Rpart
•Ridge regression, Ridge
•Support vector machines, SVM
Generated molecular descriptors:
•Atom pairs
•Burden numbers
•Carhart atom pairs
•Fragment fingerprints
•Pharmacophore fingerprints
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© 2006 - ECCR @ NCSU All Rights Reserved |  |
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| This work was funded by the National Institutes of Health through the NIH Roadmap for Medical Research, Grant 1 P20 HG003900-01. Information on the Molecular Libraries Roadmap Initiative can be obtained from http://nihroadmap.nih.gov/molecularlibraries/ |
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