Package CHEM :: Package ML :: Package predict :: Module PredictorMol

Module PredictorMol

Class for the (web-) prediction of solubility (kSOL), logp (kLOGP) and melting point (kMELT) of molecules based on 2D kernel (+ minmax) Last version: Sep 19, 06 - Input: mol object contact: cazencot@ics.uci.edu

Classes

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PredictorMol

Functions

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main(argv)

Variables

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HOME = "/home/dock/workspace/share/cheminfo/CHEM/ML/predict/"

LIBSVM_PATH = HOME+ "source/libsvm/"

LIVA_PATH = HOME+ "source/liva/"

svm_predict_stdo = LIBSVM_PATH+ "svm-predict-stdo"

make_line_stdo = LIVA_PATH+ "make_line_stdo"