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Alkane/water logP predictor. Kenny et al (2013) ClogPalk: A method for predicting alkane/water partition coefficient. JCAMD 27:389-402

dx.doi.org/10.1007/s10822-013-9655-5
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ClogPalk.1.0.cpp

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ClogPalk.documentation.pdf

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ClogPalk.param.1.0

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ReadMe.pdf

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external_test_data.txt

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external_test_data_dos.txt

external_test_data_dos.txt

 
 

make_ClogPalk

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training_data.txt

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training_data_dos.txt

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Alkane/water logP predictor. Kenny et al (2013) ClogPalk: A method for predicting alkane/water partition coefficient. JCAMD 27:389-402

dx.doi.org/10.1007/s10822-013-9655-5
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