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Clipping invalid values
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@swansonk14
swansonk14 committed May 5, 2024
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100 changes: 50 additions & 50 deletions admet_ai/resources/data/admet.csv
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category,id,name,size,task_type,units,species,tdc_rank,AUPRC,AUROC,R^2,MAE,url
Physicochemical,molecular_weight,Molecular Weight,,regression,Dalton,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors.html#rdkit.Chem.Descriptors.MolWt
Physicochemical,logP,LogP,,regression,log-ratio,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.Crippen.html#rdkit.Chem.Crippen.MolLogP
Physicochemical,hydrogen_bond_acceptors,Hydrogen Bond Acceptors,,regression,#,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcNumHBA
Physicochemical,hydrogen_bond_donors,Hydrogen Bond Donors,,regression,#,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcNumHBD
Physicochemical,Lipinski,Lipinski Rule of 5,,regression,# of 4,-,,,,,,https://en.wikipedia.org/wiki/Lipinski%27s_rule_of_five#Components_of_the_rule
Physicochemical,QED,Quantitative Estimate of Druglikeness (QED),,regression,-,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.QED.html#rdkit.Chem.QED.qed
Physicochemical,stereo_centers,Stereo Centers,,regression,#,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcNumAtomStereoCenters
Physicochemical,tpsa,Topological Polar Surface Area (TPSA),,regression,Å^2,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcTPSA
Absorption,HIA_Hou,Human Intestinal Absorption,578,classification,-,human,2,0.996606708,0.980679753,,,https://tdcommons.ai/single_pred_tasks/adme/#hia-human-intestinal-absorption-hou-et-al
Absorption,Bioavailability_Ma,Oral Bioavailability,640,classification,-,human,5,0.898285256,0.783118134,,,https://tdcommons.ai/single_pred_tasks/adme/#bioavailability-ma-et-al
Absorption,Solubility_AqSolDB,Aqueous Solubility,9982,regression,log(mol/L),-,1,,,0.814276627,0.673885697,https://tdcommons.ai/single_pred_tasks/adme/#solubility-aqsoldb
Absorption,Lipophilicity_AstraZeneca,Lipophilicity,4200,regression,log-ratio,-,1,,,0.746047462,0.430572678,https://tdcommons.ai/single_pred_tasks/adme/#lipophilicity-astrazeneca
Absorption,HydrationFreeEnergy_FreeSolv,Hydration Free Energy,642,regression,kcal/mol,-,-,,,0.919245,0.71341,https://tdcommons.ai/single_pred_tasks/adme/#hydration-free-energy-freesolv
Absorption,Caco2_Wang,Cell Effective Permeability,906,regression,log(10^-6 cm/s),human,5,,,0.744364201,0.300075312,https://tdcommons.ai/single_pred_tasks/adme/#caco-2-cell-effective-permeability-wang-et-al
Absorption,PAMPA_NCATS,PAMPA Permeability,2034,classification,-,artificial membrane,-,0.94826615,0.798405536,,,https://tdcommons.ai/single_pred_tasks/adme/#pampa-permeability-ncats
Absorption,Pgp_Broccatelli,P-glycoprotein Inhibition,1212,classification,-,human pgp / mouse cells,10,0.959242927,0.945843699,,,https://tdcommons.ai/single_pred_tasks/adme/#pgp-p-glycoprotein-inhibition-broccatelli-et-al
Distribution,BBB_Martins,Blood-Brain Barrier Penetration,1975,classification,-,human,11,0.978083609,0.93934044,,,https://tdcommons.ai/single_pred_tasks/adme/#bbb-blood-brain-barrier-martins-et-al
Distribution,PPBR_AZ,Plasma Protein Binding Rate,1614,regression,%,human,3,,,0.462089051,7.754102431,https://tdcommons.ai/single_pred_tasks/adme/#ppbr-plasma-protein-binding-rate-astrazeneca
Distribution,VDss_Lombardo,Volume of Distribution at Steady State,1111,regression,L/kg,human,10,,,-0.610145027,5.890426238,https://tdcommons.ai/single_pred_tasks/adme/#vdss-volumn-of-distribution-at-steady-state-lombardo-et-al
Excretion,Half_Life_Obach,Half Life,665,regression,hr,human,7,,,-1.551572848,31.04670644,https://tdcommons.ai/single_pred_tasks/adme/#half-life-obach-et-al
Excretion,Clearance_Hepatocyte_AZ,Drug Clearance (Hepatocyte),1020,regression,uL/min/10^6 cells,human,4,,,0.302233775,31.562803,https://tdcommons.ai/single_pred_tasks/adme/#clearance-astrazeneca
Excretion,Clearance_Microsome_AZ,Drug Clearance (Microsome),1102,regression,uL/min/mg,human,2,,,0.300325493,25.2952124,https://tdcommons.ai/single_pred_tasks/adme/#clearance-astrazeneca
Metabolism,CYP1A2_Veith,CYP1A2 Inhibition,12579,classification,-,human,-,0.934630479,0.941599044,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-1a2-inhibition-veith-et-al
Metabolism,CYP2C19_Veith,CYP2C19 Inhibition,12665,classification,-,human,-,0.882382711,0.907060295,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-2c19-inhibition-veith-et-al
Metabolism,CYP2C9_Veith,CYP2C9 Inhibition,12092,classification,-,human,4,0.809011378,0.905095011,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-2c9-inhibition-veith-et-al
Metabolism,CYP2D6_Veith,CYP2D6 Inhibition,13130,classification,-,human,3,0.734222423,0.887889936,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-2d6-inhibition-veith-et-al
Metabolism,CYP3A4_Veith,CYP3A4 Inhibition,12328,classification,-,human,3,0.881595257,0.914678766,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-3a4-inhibition-veith-et-al
Metabolism,CYP2C9_Substrate_CarbonMangels,CYP2C9 Substrate,666,classification,-,human,4,0.3002083,0.695313349,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp2c9-substrate-carbon-mangels-et-al
Metabolism,CYP2D6_Substrate_CarbonMangels,CYP2D6 Substrate,664,classification,-,human,3,0.573863564,0.768020178,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp2d6-substrate-carbon-mangels-et-al
Metabolism,CYP3A4_Substrate_CarbonMangels,CYP3A4 Substrate,667,classification,-,human,7,0.701417532,0.714367012,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp3a4-substrate-carbon-mangels-et-al
Toxicity,hERG,hERG Blocking,648,classification,-,human,4,0.925968621,0.858940863,,,https://tdcommons.ai/single_pred_tasks/tox/#herg-blockers
Toxicity,ClinTox,Clinical Toxicity,1459,classification,-,human,-,0.425390242,0.869768917,,,https://tdcommons.ai/single_pred_tasks/tox/#clintox
Toxicity,AMES,Mutagenicity,7255,classification,-,salmonella typhimurium,2,0.912265988,0.892359338,,,https://tdcommons.ai/single_pred_tasks/tox/#ames-mutagenicity
Toxicity,DILI,Drug Induced Liver Injury,475,classification,-,human,5,0.858379277,0.865054697,,,https://tdcommons.ai/single_pred_tasks/tox/#dili-drug-induced-liver-injury
Toxicity,Carcinogens_Lagunin,Carcinogenicity,278,classification,-,rodent,-,0.728486215,0.839515637,,,https://tdcommons.ai/single_pred_tasks/tox/#carcinogens
Toxicity,LD50_Zhu,Acute Toxicity LD50,7342,regression,log(1/(mol/kg)),rat,5,,,0.612500001,0.436945841,https://tdcommons.ai/single_pred_tasks/tox/#acute-toxicity-ld50
Toxicity,Skin_Reaction,Skin Reaction,404,classification,-,mouse,-,0.867316907,0.817321607,,,https://tdcommons.ai/single_pred_tasks/tox/#skin-reaction
Toxicity,NR-AR,Androgen Receptor (Full Length),6758,classification,-,human,-,0.620952705,0.821381643,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-AR-LBD,Androgen Receptor (Ligand Binding Domain),7265,classification,-,human,-,0.711622503,0.899019067,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-AhR,Aryl Hydrocarbon Receptor,6549,classification,-,human,-,0.62899255,0.887560753,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-Aromatase,Aromatase,5821,classification,-,human,-,0.453731846,0.874020253,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-ER,Estrogen Receptor (Full Length),6955,classification,-,human,-,0.451886067,0.715059484,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-ER-LBD,Estrogen Receptor (Ligand Binding Domain),6193,classification,-,human,-,0.469083765,0.814587495,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-PPAR-gamma,Peroxisome Proliferator-Activated Receptor Gamma,6450,classification,-,human,-,0.373228274,0.884272416,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-ARE,Nuclear Factor (Erythroid-Derived 2)-Like 2/Antioxidant Responsive Element,5832,classification,-,human,-,0.548436893,0.837783074,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-ATAD5,ATPase Family AAA Domain-Containing Protein 5 (ATAD5),7072,classification,-,human,-,0.324797882,0.879084144,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-HSE,Heat Shock Factor Response Element,6467,classification,-,human,-,0.380343661,0.852138257,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-MMP,Mitochondrial Membrane Potential,5810,classification,-,human,-,0.744683945,0.925379251,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-p53,Tumor Protein p53,6774,classification,-,human,-,0.408814321,0.878568992,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
category,id,name,size,task_type,units,minimum,maximum,species,tdc_rank,AUPRC,AUROC,R^2,MAE,url
Physicochemical,molecular_weight,Molecular Weight,,regression,Dalton,0,inf,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.Descriptors.html#rdkit.Chem.Descriptors.MolWt
Physicochemical,logP,LogP,,regression,log-ratio,-inf,inf,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.Crippen.html#rdkit.Chem.Crippen.MolLogP
Physicochemical,hydrogen_bond_acceptors,Hydrogen Bond Acceptors,,regression,#,0,inf,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcNumHBA
Physicochemical,hydrogen_bond_donors,Hydrogen Bond Donors,,regression,#,0,inf,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcNumHBD
Physicochemical,Lipinski,Lipinski Rule of 5,,regression,# of 4,0,4,-,,,,,,https://en.wikipedia.org/wiki/Lipinski%27s_rule_of_five#Components_of_the_rule
Physicochemical,QED,Quantitative Estimate of Druglikeness (QED),,regression,-,0,1,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.QED.html#rdkit.Chem.QED.qed
Physicochemical,stereo_centers,Stereo Centers,,regression,#,0,inf,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcNumAtomStereoCenters
Physicochemical,tpsa,Topological Polar Surface Area (TPSA),,regression,Å^2,0,inf,-,,,,,,https://www.rdkit.org/docs/source/rdkit.Chem.rdMolDescriptors.html#rdkit.Chem.rdMolDescriptors.CalcTPSA
Absorption,HIA_Hou,Human Intestinal Absorption,578,classification,-,0,1,human,2,0.996606708,0.980679753,,,https://tdcommons.ai/single_pred_tasks/adme/#hia-human-intestinal-absorption-hou-et-al
Absorption,Bioavailability_Ma,Oral Bioavailability,640,classification,-,0,1,human,5,0.898285256,0.783118134,,,https://tdcommons.ai/single_pred_tasks/adme/#bioavailability-ma-et-al
Absorption,Solubility_AqSolDB,Aqueous Solubility,9982,regression,log(mol/L),-inf,inf,-,1,,,0.814276627,0.673885697,https://tdcommons.ai/single_pred_tasks/adme/#solubility-aqsoldb
Absorption,Lipophilicity_AstraZeneca,Lipophilicity,4200,regression,log-ratio,-inf,inf,-,1,,,0.746047462,0.430572678,https://tdcommons.ai/single_pred_tasks/adme/#lipophilicity-astrazeneca
Absorption,HydrationFreeEnergy_FreeSolv,Hydration Free Energy,642,regression,kcal/mol,-inf,inf,-,-,,,0.919245,0.71341,https://tdcommons.ai/single_pred_tasks/adme/#hydration-free-energy-freesolv
Absorption,Caco2_Wang,Cell Effective Permeability,906,regression,log(10^-6 cm/s),-inf,inf,human,5,,,0.744364201,0.300075312,https://tdcommons.ai/single_pred_tasks/adme/#caco-2-cell-effective-permeability-wang-et-al
Absorption,PAMPA_NCATS,PAMPA Permeability,2034,classification,-,0,1,artificial membrane,-,0.94826615,0.798405536,,,https://tdcommons.ai/single_pred_tasks/adme/#pampa-permeability-ncats
Absorption,Pgp_Broccatelli,P-glycoprotein Inhibition,1212,classification,-,0,1,human pgp / mouse cells,10,0.959242927,0.945843699,,,https://tdcommons.ai/single_pred_tasks/adme/#pgp-p-glycoprotein-inhibition-broccatelli-et-al
Distribution,BBB_Martins,Blood-Brain Barrier Penetration,1975,classification,-,0,1,human,11,0.978083609,0.93934044,,,https://tdcommons.ai/single_pred_tasks/adme/#bbb-blood-brain-barrier-martins-et-al
Distribution,PPBR_AZ,Plasma Protein Binding Rate,1614,regression,%,0,100,human,3,,,0.462089051,7.754102431,https://tdcommons.ai/single_pred_tasks/adme/#ppbr-plasma-protein-binding-rate-astrazeneca
Distribution,VDss_Lombardo,Volume of Distribution at Steady State,1111,regression,L/kg,0,inf,human,10,,,-0.610145027,5.890426238,https://tdcommons.ai/single_pred_tasks/adme/#vdss-volumn-of-distribution-at-steady-state-lombardo-et-al
Excretion,Half_Life_Obach,Half Life,665,regression,hr,0,inf,human,7,,,-1.551572848,31.04670644,https://tdcommons.ai/single_pred_tasks/adme/#half-life-obach-et-al
Excretion,Clearance_Hepatocyte_AZ,Drug Clearance (Hepatocyte),1020,regression,uL/min/10^6 cells,0,inf,human,4,,,0.302233775,31.562803,https://tdcommons.ai/single_pred_tasks/adme/#clearance-astrazeneca
Excretion,Clearance_Microsome_AZ,Drug Clearance (Microsome),1102,regression,uL/min/mg,0,inf,human,2,,,0.300325493,25.2952124,https://tdcommons.ai/single_pred_tasks/adme/#clearance-astrazeneca
Metabolism,CYP1A2_Veith,CYP1A2 Inhibition,12579,classification,-,0,1,human,-,0.934630479,0.941599044,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-1a2-inhibition-veith-et-al
Metabolism,CYP2C19_Veith,CYP2C19 Inhibition,12665,classification,-,0,1,human,-,0.882382711,0.907060295,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-2c19-inhibition-veith-et-al
Metabolism,CYP2C9_Veith,CYP2C9 Inhibition,12092,classification,-,0,1,human,4,0.809011378,0.905095011,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-2c9-inhibition-veith-et-al
Metabolism,CYP2D6_Veith,CYP2D6 Inhibition,13130,classification,-,0,1,human,3,0.734222423,0.887889936,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-2d6-inhibition-veith-et-al
Metabolism,CYP3A4_Veith,CYP3A4 Inhibition,12328,classification,-,0,1,human,3,0.881595257,0.914678766,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp-p450-3a4-inhibition-veith-et-al
Metabolism,CYP2C9_Substrate_CarbonMangels,CYP2C9 Substrate,666,classification,-,0,1,human,4,0.3002083,0.695313349,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp2c9-substrate-carbon-mangels-et-al
Metabolism,CYP2D6_Substrate_CarbonMangels,CYP2D6 Substrate,664,classification,-,0,1,human,3,0.573863564,0.768020178,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp2d6-substrate-carbon-mangels-et-al
Metabolism,CYP3A4_Substrate_CarbonMangels,CYP3A4 Substrate,667,classification,-,0,1,human,7,0.701417532,0.714367012,,,https://tdcommons.ai/single_pred_tasks/adme/#cyp3a4-substrate-carbon-mangels-et-al
Toxicity,hERG,hERG Blocking,648,classification,-,0,1,human,4,0.925968621,0.858940863,,,https://tdcommons.ai/single_pred_tasks/tox/#herg-blockers
Toxicity,ClinTox,Clinical Toxicity,1459,classification,-,0,1,human,-,0.425390242,0.869768917,,,https://tdcommons.ai/single_pred_tasks/tox/#clintox
Toxicity,AMES,Mutagenicity,7255,classification,-,0,1,salmonella typhimurium,2,0.912265988,0.892359338,,,https://tdcommons.ai/single_pred_tasks/tox/#ames-mutagenicity
Toxicity,DILI,Drug Induced Liver Injury,475,classification,-,0,1,human,5,0.858379277,0.865054697,,,https://tdcommons.ai/single_pred_tasks/tox/#dili-drug-induced-liver-injury
Toxicity,Carcinogens_Lagunin,Carcinogenicity,278,classification,-,0,1,rodent,-,0.728486215,0.839515637,,,https://tdcommons.ai/single_pred_tasks/tox/#carcinogens
Toxicity,LD50_Zhu,Acute Toxicity LD50,7342,regression,log(1/(mol/kg)),-inf,inf,rat,5,,,0.612500001,0.436945841,https://tdcommons.ai/single_pred_tasks/tox/#acute-toxicity-ld50
Toxicity,Skin_Reaction,Skin Reaction,404,classification,-,0,1,mouse,-,0.867316907,0.817321607,,,https://tdcommons.ai/single_pred_tasks/tox/#skin-reaction
Toxicity,NR-AR,Androgen Receptor (Full Length),6758,classification,-,0,1,human,-,0.620952705,0.821381643,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-AR-LBD,Androgen Receptor (Ligand Binding Domain),7265,classification,-,0,1,human,-,0.711622503,0.899019067,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-AhR,Aryl Hydrocarbon Receptor,6549,classification,-,0,1,human,-,0.62899255,0.887560753,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-Aromatase,Aromatase,5821,classification,-,0,1,human,-,0.453731846,0.874020253,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-ER,Estrogen Receptor (Full Length),6955,classification,-,0,1,human,-,0.451886067,0.715059484,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-ER-LBD,Estrogen Receptor (Ligand Binding Domain),6193,classification,-,0,1,human,-,0.469083765,0.814587495,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,NR-PPAR-gamma,Peroxisome Proliferator-Activated Receptor Gamma,6450,classification,-,0,1,human,-,0.373228274,0.884272416,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-ARE,Nuclear Factor (Erythroid-Derived 2)-Like 2/Antioxidant Responsive Element,5832,classification,-,0,1,human,-,0.548436893,0.837783074,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-ATAD5,ATPase Family AAA Domain-Containing Protein 5 (ATAD5),7072,classification,-,0,1,human,-,0.324797882,0.879084144,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-HSE,Heat Shock Factor Response Element,6467,classification,-,0,1,human,-,0.380343661,0.852138257,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-MMP,Mitochondrial Membrane Potential,5810,classification,-,0,1,human,-,0.744683945,0.925379251,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
Toxicity,SR-p53,Tumor Protein p53,6774,classification,-,0,1,human,-,0.408814321,0.878568992,,,https://tdcommons.ai/single_pred_tasks/tox/#tox21
7 changes: 5 additions & 2 deletions admet_ai/web/app/templates/index.html
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Expand Up @@ -139,7 +139,9 @@ <h3>Output</h3>
For regression properties, the property is directly predicted with the units shown. For
classification properties, the predicted value is the probability that the molecule has the
property (e.g., probability of blood-brain barrier penetration).
Additionally, the percentile of the molecule’s property compared to the DrugBank reference is shown.
Additionally, the percentile of the molecule’s property compared to the DrugBank reference is shown. Note:
For regression properties, the displayed value is clipped to a valid range (e.g., &#8805;0 for half life)
while the downloaded results contain the original value.
</p>
<p>
<strong><u>Download Predictions:</u></strong> Predictions for the first <strong>{{
Expand Down Expand Up @@ -440,7 +442,8 @@ <h3 class="table-header">{{ category }}</h3>

<td>
{% set pred = smiles_to_property_id_to_pred[smiles][row["id"]] %}
{{ ("{:.2f}" if pred > 0.005 or pred < -0.005 else "{:.2e}").format(pred) }}
{% set pred = min(max(pred, row["minimum"]), row["maximum"]) %}
{{ ("{:.2f}" if pred == 0 or pred > 0.005 or pred < -0.005 else "{:.2e}").format(pred) }}
</td>

<td>
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2 changes: 2 additions & 0 deletions admet_ai/web/app/views.py
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Expand Up @@ -57,6 +57,8 @@ def render(**kwargs) -> str:
atc_code=session.get("atc_code") or "all",
heartbeat_frequency=app.config["HEARTBEAT_FREQUENCY"],
string_to_html_sup=string_to_html_sup,
min=min,
max=max,
text_smiles=session.get("text_smiles", ""),
version=__version__,
**kwargs,
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