<?xml version="1.0" encoding="UTF-8"?>
<!-- ScreenMD configuration file -->

<ScreenMDConfiguration schemaLocation="screenmd.xsd">

    <Input>
        <Target>
            <File Name="examples/molecules/nci1000.smiles" GenerateID="true"/>
        </Target>
        <Query Name="examples/molecules/beta2_antagonists.smiles" />
    </Input>
    
    <Output Precision="2">
        <Files>
            <File Type="table" Name="examples/output/nci1000.table"/>
        </Files>
    </Output>
                    
    <Descriptors>
        <Descriptor>
            <New Type="CF" ConfigFile="examples/config/cfp.xml">
	        <Options>
        	    <Metrics>
                	<Metric Name="Tanimoto"/>
                    </Metrics>
                </Options>
            </New>
            
            <New Type="PF" ConfigFile="examples/config/pharma-frag.xml">
                <Options>
                    <Metrics>
                        <Metric Name="Euclidean"/>
                    </Metrics>
                </Options>
	    </New>
        </Descriptor>
    </Descriptors>
    
    <SimilarityOptions CompareQueries="true">
        <Hypotheses>
            <Hypothesis Type="Minimum"/>
        </Hypotheses>
    </SimilarityOptions>

</ScreenMDConfiguration>
