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              <p class="caption"><span class="caption-text">Background</span></p>
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<li class="toctree-l2"><a class="reference internal" href="dtba/classifier.html">Classifier</a></li>
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<li class="toctree-l2"><a class="reference internal" href="encoders/transformer.html">Transformer</a></li>
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<li class="toctree-l2"><a class="reference internal" href="encoders/mpnn.html">Message Passing Neural Network (MPNN)</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/read_file_training_dataset_bioassay.html">read_file_training_dataset_bioassay</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/read_file_training_dataset_drug_target_pairs.html">read_file_training_dataset_drug_target_pairs</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/read_file_virtual_screening_drug_target_pairs.html">read_file_virtual_screening_drug_target_pairs</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/read_file_repurposing_library.html">load bioarray dataset (read_file_training_dataset_bioassay)</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/read_file_target_sequence.html">read_file_target_sequence</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/download_BindingDB.html">download_DrugTargetCommons</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/load_process_KIBA.html">load_process_KIBA</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/load_AID1706_txt_file.html">load_AID1706_txt_file</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/load_AID1706_SARS_CoV_3CL.html">load_AID1706_SARS_CoV_3CL</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/load_antiviral_drugs.html">load_antiviral_drugs</a></li>
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<li class="toctree-l2"><a class="reference internal" href="data/load_broad_repurposing_hub.html">load_broad_repurposing_hub</a></li>
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<li class="toctree-l1 current"><a class="current reference internal" href="#">DeepPurpose.chemutils</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="chem/onek_encoding_unk.html">DeepPurpose.chemutils.onek_encoding_unk</a></li>
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<li class="toctree-l2"><a class="reference internal" href="chem/bond_features.html">DeepPurpose.chemutils.bond_features</a></li>
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<li class="toctree-l2"><a class="reference internal" href="oneliner_folder/virtual_screening.html">DeepPurpose.oneliner.virtual_screening</a></li>
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<li class="toctree-l1"><a class="reference internal" href="utils.html">DeepPurpose.utils</a></li>
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<p class="caption"><span class="caption-text">Importance Function</span></p>
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<li class="toctree-l1"><a class="reference internal" href="model.html">Drug Target Binding Affinity (DTBA) Model</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="dtba/classifier.html">Classifier</a></li>
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<li class="toctree-l1"><a class="reference internal" href="encoder.html">Drug/Target Encoder</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="encoder.html#drug-encoding">Drug encoding</a></li>
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<li class="toctree-l2"><a class="reference internal" href="encoder.html#encoder-model">Encoder Model</a></li>
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<li class="toctree-l2"><a class="reference internal" href="encoder.html#technical-details">Technical Details</a><ul>
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<li class="toctree-l3"><a class="reference internal" href="encoders/transformer.html">Transformer</a></li>
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<li class="toctree-l3"><a class="reference internal" href="encoders/mpnn.html">Message Passing Neural Network (MPNN)</a></li>
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<li class="toctree-l3"><a class="reference internal" href="encoders/cnnrnn.html">CNN+RNN</a></li>
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<li class="toctree-l3"><a class="reference internal" href="encoders/cnn.html">CNN</a></li>
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<li class="toctree-l1"><a class="reference internal" href="process_data.html">Processing Data</a><ul>
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<li class="toctree-l2"><a class="reference internal" href="process_data.html#drug-target-binding-benchmark-dataset">Drug-Target Binding Benchmark Dataset</a></li>
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<li class="toctree-l2"><a class="reference internal" href="process_data.html#repurposing-dataset">Repurposing Dataset</a></li>
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<li class="toctree-l2"><a class="reference internal" href="process_data.html#bioassay-data-for-covid-19">Bioassay Data for COVID-19</a></li>
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<li class="toctree-l2"><a class="reference internal" href="process_data.html#covid-19-targets">COVID-19 Targets</a><ul>
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<li class="toctree-l3"><a class="reference internal" href="data/read_file_training_dataset_bioassay.html">read_file_training_dataset_bioassay</a></li>
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<li class="toctree-l3"><a class="reference internal" href="data/read_file_training_dataset_drug_target_pairs.html">read_file_training_dataset_drug_target_pairs</a></li>
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<li class="toctree-l3"><a class="reference internal" href="data/read_file_virtual_screening_drug_target_pairs.html">read_file_virtual_screening_drug_target_pairs</a></li>
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<li class="toctree-l3"><a class="reference internal" href="data/read_file_repurposing_library.html">load bioarray dataset (read_file_training_dataset_bioassay)</a></li>
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<li class="toctree-l3"><a class="reference internal" href="data/read_file_target_sequence.html">read_file_target_sequence</a></li>
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<li class="toctree-l3"><a class="reference internal" href="data/download_BindingDB.html">download_DrugTargetCommons</a></li>
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<h1>DeepPurpose.chemutils<a class="headerlink" href="#deeppurpose-chemutils" title="Permalink to this headline">ΒΆ</a></h1>
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<p class="caption"><span class="caption-text">Documentation of function in DeepPurpose.chemutils</span></p>
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<li class="toctree-l1"><a class="reference internal" href="chem/onek_encoding_unk.html">DeepPurpose.chemutils.onek_encoding_unk</a></li>
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<li class="toctree-l1"><a class="reference internal" href="chem/bond_features.html">DeepPurpose.chemutils.bond_features</a></li>
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