Drug-Induced TdP Risk Assessment

<p>A manually collected dataset that investigates the proarrhythmic risk of 109 drugs using parameters obtained from biophysical models. The dataset provides 4 torsade de pointes (TdP) risk categories.&nbsp; For all 109 drugs, IC50 values and Hill coefficients (h) for INa, INaL, IKr, Ito, ICaL, IK1, and IKs and human effective free therapeutic plasma concentration (EFTPC) were obtained (Llopis-Lorente et al., 2020).</p> <p>&nbsp;</p> <p><strong>Task: </strong>The dataset can be used to study causal discovery methods aiming to infer ion channels selection for the drug-induced TdP risk.</p> <p>&nbsp;</p> <p><strong>Summary:&nbsp;</strong></p> <ul> <li><strong>Size of dataset</strong>: 109 x 16</li> <li><strong>Task:</strong> Causal Discovery Problem</li> <li><strong>Data Type:</strong> Mixed Data</li> <li><strong>Dataset Scope:</strong> Standalone Dataset</li> <li><strong>Ground Truth:</strong> Unknown Graph</li> <li><strong>Temporal Structure:</strong> Static Data</li> <li><strong>License:</strong> CC BY-NC 4.0 (see https://pubs.acs.org/page/policy/authorchoice_termsofuse.html)</li> <li><strong>Missing Values:</strong> Existing Missing Values</li> </ul> <p>&nbsp;</p> <p><strong>Missingness Statement: </strong>A dash in the dataset means that no value was found publicly available, thus it was considered that the drug effect on that current was negligible (Llopis-Lorente et al., 2020).</p> <p>&nbsp;</p> <p><strong>Features:</strong></p> <ul> <li><strong>Class</strong>: Torsadogenic risk characterization.&nbsp; Class 1 (known risk of TdP), class 2 (possible risk of TdP), class 3 (conditional risk of TdP), and class 4 (drugs with a lack of evidence of TdP).</li> <li><strong>EFTPC</strong>: Effective free therapeutic plasma concentration. EFTPC is the minimum concentration of the unbound form of a drug in plasma required to produce the intended therapeutic effect in the body.</li> <li><strong>IC50[...]</strong>: Value that represents the minimal concentration of a drug that is required for 50% inhibition in vitrovalues (given in nm). Drugs are in the set {Kr, INa,INaL, ICaL, IKs, IK1, Ito}.</li> <li><strong>h[...]</strong>: Hill coefficients of the currents. Drugs are in the set {Kr, INa,INaL, ICaL, IKs, IK1, Ito}.</li> </ul> <p>&nbsp;</p> <p><strong>Files:&nbsp;</strong></p> <ul> <li><strong>med_file.csv</strong>: dataset</li> </ul>