Published June 12, 2025 | Version v1
Dataset Open

Database for PikMe – Efficient Prioritization, Identification, and Quantification of Emerging Environmental Pollutants

Authors/Creators

  • 1. ROR icon Norwegian Institute for Water Research
  • 2. Stiftelsen NILU

Description

PikMe: A Flexible Tool for Prioritizing Chemicals of Emerging Concern

The Norwegian Environment Agency, NIVA, and NILU have launched PikMe, an open-source tool for prioritizing chemicals of emerging concern (CECs). With over 100,000 substances in use across Europe, PikMe supports evidence-based selection of chemicals for environmental monitoring by assessing persistence, mobility, bioaccumulation, toxicity, and other risk parameters. Its customizable framework helps identify high-risk substances while minimizing false negatives, improving efficiency in screening and monitoring. 

The database contains 1,139,631 chemical substances with extracted date from multiple data source in addition to a scoring system for different environmental concern and the reliability of these scores. It is in a tabulated format that can be accessed through PowerBI (Microsoft), R or other scrip-based tools reading csv or parquet files. 

 

Technical info

Datasources included in PikMe

Name

Description

Type of data

Date downloaded

Number of chemicals

CompTox

US EPA dashboard for chemical information.

CompTox Chemicals Dashboard Resource Hub | US EPA

Chemical identifiers, structural data, phys-chem, tox, fate. Predicted and experimental data

May 2023

 

1,139,631

OPERA v.2.9

Suite of QSAR models. https://github.com/NIEHS/OPERA

 

Predicted and experimental data for phys-chem, tox and fate.

July 2024

 

1,096,458

EPIWEB V.4.1

US EPA EPI Suite database. EPI Suite™-Estimation Program Interface | US EPA

Predicted and experimental data for phys-chem, tox and fate.

May 2023

 

1,021,083

QSAR Toolbox v.4.4.

ECHA tool for grouping and read across of chemicals, including profiling based on experimental and predicted data. https://qsartoolbox.org/

PBT profiler based on experimental data registered at ECHA and predicted data

July 2023

 

9,635

NORMAN SUSDAT

NORMAN SusDat is a frequently updated database compiling information provided by NORMAN network members and external contributors via the NORMAN Suspect List Exchange (NORMAN-SLE).

Experimental and predicted data for phys-chem, tox and analytical methods.

May 2024

 

82,397

Envirotox

database with curated experimental data from ecotoxicity tests. EnviroTox - Tools for Calculating Ecotoxicological Thresholds of Concern

Experimental tox data

April 2024

 

4,259

Vannmiljø

Database of monitoring data from Norway. https://vannmiljo.miljodirektoratet.no/

Detection frequency in different matrixes.

July 2024

 

1,514

Norwegian Product register

Database of chemicals in products imported or produced in Norway. Produktregisteret: Innrapportere mengder og produkter - miljodirektoratet.no

Aggregated tonnage from year 2019-2021 produced or imported to Norway.

July 2023

 

4,671

Chemical lists from ECHA

REACH SVHC: authorized, candidates and intention list

POPs and substances proposed as POPs

ECHA Endocrine disruptor assessment

Occupational exposure limits list

WFD annex x priority substances

Annex I part A priority substances pollutants in water

Marine Environment Policy Framework Directive hazardous substances

Prior Informed Consent Regulation: PIC

Homepage - ECHA

January 2024

 

Notes

Criteria for scoring system for P_score, B_score, M_score, T_eviro_score, T_human_score

Score 

Persistence 

Bioaccumulation 

Mobility 

(eco)Toxicity(1) 

(human)Toxicity

5 

vP: T1/2 > 60 d 

vB: BCF > 5000 

vM: log KOC < 2 

 T

(exp): < 10 µg/L 

SVHC based on Toxic, carcinogen, PBT or EDC

4 

P: T1/2 > 40 d 

B: BCF > 2000 

M: log KOC < 3 

T (pred): < 10 µg/L 

Potentially T (exp): LC50 or 

EC10 or NOEC < 100 µg/L 

vT (pred): LD50<50 mg/kg bw

T (pred): LD50< 2000 mg/kg bw

3 

Potentially P: not readily biodegradable 

Potentially B: log KOW > 4.5  
(or log KOW > 2 & log KOA > 5) 

Not used

Potentially T (pred): LC50 or 

EC10 or NOEC < 100 µg/L 

EDC pred

 

2 

No data 

No data 

No data 

No data 

No data 

1 

Not P: Readily biodegradable 

Not B: BCF < 2000 or log KOW < 2  
(or log KOA < 5 & log KOW < 2) 

Not M: log KOC > 3 

Not T: LC50 or 

EC10 or NOEC > 100 µg/L (most sensitive species) 

Not T (pred):

LD50>=2000 mg/kg bw

 

 

Reliability score:

Reliability was evaluated from 0-2 where the score “0” indicates that there is only predicted data available and that there is no information on the applicability of the prediction model and the score “2” is given to scores based on laboratory test-data. Values between 0 and 1 are the applicability index (AD) score10 from the model prediction. The scores were given on the most reliable data source when multiple data sources were available. Test-data were considered most reliable, then predicted data with the highest AD index or reliability score. If only predicted data without information on AD was available, this data was used, but with a reliability score of 0. Predicted data from QSAR toolbox PBT profiler were given a score of 1 since this profiler uses information from multiple QSARs where the applicability domains had been controlled.

Table of contents

Column description:

name source Relevance Unit Description
BCF_TEST_Comptox comptox BCF   QSAR TEST
Consumer_data_count_Comptox comptox   number of entries Conumer products and categories, and functional use data. 
Exposure_pred_comptox comptox exposure mg/kg bodyweight/day These are estimates of the average (geometric mean) exposure rate (mg/kg bodyweight/day) for the U.S. population. 
CASRN_Comptox comptox identifier for datasources based on CAS  
dtxcid comptox identifier chemical, uniqe to structure can be multiple chemicals in one substance
dtxsid comptox key unique identifier substance  
name_Comptox comptox      
qcleveldesc_Comptox comptox reliability of structure and connection between data-enteries number + descript  
qcnotes_Comptox comptox reliability of structure and connection between data-enteries comments
koc_pred_Comptox comptox Partition coefficient    
ws_TEST_Comptox comptox phys chem prop MOL/L QSAR TEST
averagemass comptox molecular mass   molecular mass
inchikey comptox uniqe identifier   chemical structure description
inchistring comptox     chemical structure description
ismarkush comptox undefined structure (group/atom of variable position) 0 or 1 chemical structure description
molformula comptox >250 000 uniqe enteries, 25 000 missing Molecular formula
monoisotopicmass comptox   g/mol molecular mass
multicomponent comptox     chemical structure description
qsarreadysmiles comptox     chemical structure description
activeassays_ToxCast_Comptox comptox in vitro tox number in vitro assays with postivie activity
AMESmut_TEST_Comptox comptox mutagenicity   QSAR TEST mutagenicity
devtox_TEST_Comptox comptox developmental toxicity QSAR TEST developmental toxicity
LC50_Daph_pred_Comptox comptox enviro tox daphnia Mol/L QSAR acute tox daphnia 48h LC50
LC50_fatheadm_pred_Comptox comptox envito tox fathead minnow Mol/L QSAR acute tox fish 96h LC50
LD50_oralrat_pred_Comptox comptox acute oral tox rat mol/kg QSAR oral tox LD50
percentassays_ToxCast_Comptox comptox in vitro tox % % of total in vitro assays with activity
IGC50_tetrahymenap_pred_Comptox comptox enviro tox tetrahumena Mol/L QSAR acute tox IGC50
totlassays_ToxCast_Comptox comptox in vitro tox number total in vitro assays in database
selectassays_ToxCast_Comptox comptox in vitro tox ratio active assays / total number of assays for in vitro ToxCast workflow?
tonnage_band_max_ECHA echa REACH information ton/year tonnage in REACH
tonnage_band_min_ECHA echa REACH information ton/year tonnage in REACH
total_tonnage_band_ECHA echa REACH information ton/year tonnage in REACH
comment_ECHA echa REACH information    
ec_list_number_ECHA echa REACH information   uniqe identifier
factsheet_url_ECHA echa REACH information    
last_updated_ECHA echa REACH information   REACH updated info
registration_status_ECHA echa REACH information    
registration_type_ECHA echa REACH information    
submission_type_ECHA echa REACH information    
substance_information_page_ECHA echa REACH information    
echa_b_profiler_QSARtoolbox echa QSAR toolbox B_echa_exp, B_echa_pred   experimental and predicted data for B profiler
echa_p_profiler__QSARtoolbox echa QSAR toolbox     experimental and predicted data for P profiler
echa_t_profiler__QSARtoolbox echa QSAR toolbox     experimental and predicted data for T profiler
EC10_max_EnviroTox EnviroTox Any study in Envirotox reporting EC10 as endpoint (effect concentration 10%) mg/L experimental data
LC50_max_EnviroTox EnviroTox Any study in Envirotox reporting LC50 as endpoint (Lethal concentration 50%) mg/L experimental data
NOEC_max_EnviroTox EnviroTox Any study in Envirotox reporting NOEC as endpoint (No obseved effect concentration) mg/L experimental data
EC10_mean_EnviroTox EnviroTox Any study in Envirotox reporting EC10 as endpoint (effect concentration 10%) mg/L experimental data
LC50_mean_EnviroTox EnviroTox Any study in Envirotox reporting LC50 as endpoint (Lethal concentration 50%) mg/L experimental data
NOEC_mean_EnviroTox EnviroTox Any study in Envirotox reporting NOEC as endpoint (No obseved effect concentration) mg/L experimental data
EC10_min_EnviroTox EnviroTox Any study in Envirotox reporting EC10 as endpoint (effect concentration 10%) mg/L experimental data
LC50_min_EnviroTox EnviroTox Any study in Envirotox reporting LC50 as endpoint (Lethal concentration 50%) mg/L experimental data
NOEC_min_EnviroTox EnviroTox Any study in Envirotox reporting NOEC as endpoint (No obseved effect concentration) mg/L experimental data
EC10_n_EnviroTox EnviroTox Any study in Envirotox reporting EC10 as endpoint (effect concentration 10%) mg/L experimental data
LC50_n_EnviroTox EnviroTox Any study in Envirotox reporting LC50 as endpoint (Lethal concentration 50%) mg/L experimental data
NOEC_n_EnviroTox EnviroTox Any study in Envirotox reporting NOEC as endpoint (No obseved effect concentration) mg/L experimental data
t_exp_enviro EnviroTox Minimum value of EC10, LC50 and NOEC compared to cut off (10µg/L for T, 100µg/L pot T/not T) mg/L experimental data
 no_of_data_EnviroTox EnviroTox      
koa_pred_EPI epi partition coefficient   prediction log Koa
koa_exp_EPI epi partition coefficient   experimental data
kow_pred_EPI epi partition coefficient   prediction logKow
kow_exp_EPI epi partition coefficient   experimental data
air_half_life_12h_EPI epi abiotic degradation predicted per day (12h) predicted air halflife
air_half_life_24h_EPI epi abiotic degradation predicted per day (24h) predicted air halflife
l3emodel_soil_half_life_EPI epi environmental fate modelling h predicted halflife
l3eqcmodel_air_emissions_EPI epi environmental fate modelling kg/h input 
l3eqcmodel_air_half_life_EPI epi environmental fate modelling h predicted halflife
l3eqcmodel_air_mass_pcnt_EPI epi environmental fate modelling mas % predicted output fugacity
l3eqcmodel_sediment_emissions_EPI epi environmental fate modelling kg/h input 
l3eqcmodel_sediment_half_life_EPI epi environmental fate modelling h predicted halflife
l3eqcmodel_sediment_mass_pcnt_EPI epi environmental fate modelling mas % predicted output fugacity
l3eqcmodel_soil_emissions_EPI epi environmental fate modelling kg/h input 
l3eqcmodel_soil_mass_pcnt_EPI epi environmental fate modelling mas % predicted output fugacity
l3eqcmodel_water_emissions_EPI epi environmental fate modelling kg/h input 
l3eqcmodel_water_half_life_EPI epi environmental fate modelling h predicted halflife
l3eqcmodel_water_mass_pcnt_EPI epi environmental fate modelling mas % predicted output fugacity
oh_rate_cm3_molecule_EPI epi abiotic degradation atmoshperic hydrocylation cm3/molecule/sec predicted hydroxylation rate
persistence_time_h_EPI epi environmental fate modelling h overall persistence time
kaw_pred_EPI epi partition coefficient   prediction log Kaw
kaw_exp_EPI epi partition coefficient   experimental data
kaw_usedbyEPI epi partition coefficient   kaw used in EPI pred
BCF_max_exp_Comptox exp comptox script BCF   experimental data
BCF_mean_exp_Comptox exp comptox script BCF   experimental data
BCF_min_exp_Comptox exp comptox script BCF   experimental data
koa_max_exp_Comptox exp comptox script partition coefficient   experimental data
koa_mean_exp_Comptox exp comptox script partition coefficient   experimental data
koa_min_exp_Comptox exp comptox script partition coefficient   experimental data
kow_max_exp_Comptox exp comptox script partition coefficient   experimental data
kow_mean_exp_Comptox exp comptox script partition coefficient   experimental data
kow_min_exp_Comptox exp comptox script partition coefficient   experimental data
koc_max_exp_Comptox exp comptox script partition coefficient L/kg experimental data
koc_mean_exp_Comptox exp comptox script partition coefficient L/kg experimental data
koc_min_exp_Comptox exp comptox script partition coefficient L/kg experimental data
hazard_inList_ECHA List ECHA Hazard concern for being of list  
hazard_list_ECHA List ECHA type of list of concern    
SVHC_ECHA List ECHA reson for svhc     
MethodPred_Chromatography_norman norman     Predicted chemical analysis
MethodPred_ESImode_norman norman     Predicted chemical analysis
MethodPred_IonizationSource_norman norman     Predicted chemical analysis
MethodPred_RTI_Negative_ESI_norman norman     Predicted chemical analysis
MethodPred_RTI_Positive_ESI_norman norman     Predicted chemical analysis
MethodPred_Pref_platform_norman norman     Predicted chemical analysis
MethodPred_Prob_+ESI_norman norman     Predicted chemical analysis
MethodPred_Prob_bothESImode_norman norman     Predicted chemical analysis
MethodPred_Prob_EI_norman norman     Predicted chemical analysis
MethodPred_Prob_ESI_norman norman     Predicted chemical analysis
MethodPred_Prob_-ESI_norman norman     Predicted chemical analysis
MethodPred_Prob_bothIonizationSource_norman norman     Predicted chemical analysis
MethodPred_Prob_GC_norman norman     Predicted chemical analysis
MethodPred_Prob_RPLC_norman norman     Predicted chemical analysis
MethodPred__Uncertainty_RTI_neg_norman norman     Predicted chemical analysis
MethodPred_Uncertainty_RTI_pos_norman norman     Predicted chemical analysis
ExposureScore_Water_KEMI_norman norman      
Norman_SusDat_ID norman     uniqe identifier
Validation_Level_norman norman   Level 2-8  
ValidationLevel_KEMI_norman norman   2 to 8  
koc_max_exp_norman norman partition coefficient L/kg  
koc_max_pred_norman norman partition coefficient L/kg  
koc_min_exp_norman norman partition coefficient L/kg  
koc_min_pred_norman norman partition coefficient L/kg  
EC50_algae_pred_norman norman enviro tox algae µg/L QSAR acute tox
HazScore_EcoChronic_KEMI_norman norman      
IGC50_tetrahymenap_pred_norman norman enviro tox tetrahumena µg/L QSAR acute tox
LC50_daph_pred_norman norman enviro tox daphnia µg/L QSAR acute tox
LC50_pimephales_pred_norman norman enviro tox pomephales µg/L QSAR acute tox
Uncertainty_Algae_toxicity_norman norman enviro tox algae   QSAR acute tox
Uncertainty_Daphnia_toxicity_norman norman enviro tox daphnia   QSAR acute tox
Uncertainty_Pimephales_promelas_toxicity_norman norman enviro tox pomephales QSAR acute tox
Uncertainty_Tetrahymena_pyriformis_toxicity_norman norman enviro tox tetrahumena QSAR acute tox
ad_index_rt_opera opera HPLC retention time.   QSAR applicability domain index
ad_rt_opera opera HPLC retention time. minutes QSAR within applicability domain
conf_index_rt_opera opera HPLC retention time.   QSAR confidence index
rt_exp_opera opera HPLC retention time. minutes experimental data
rt_pred_opera opera HPLC retention time. minutes Predicted chemical analysis
rt_predrange_opera opera HPLC retention time.   QSAR OPERA
ad_bcf_opera opera BCF   QSAR within applicability domain
ad_caco2_opera opera Caco-2 permeability (logPapp) QSAR within applicability domain
ad_clint_opera opera Human hepatic intrinsic clearance  QSAR within applicability domain
ad_fub_opera opera Human plasma fraction unbound QSAR within applicability domain
ad_index_bcf_opera opera BCF   QSAR applicability domain index
ad_index_caco2_opera opera Caco-2 permeability (logPapp) QSAR applicability domain index
ad_index_clint_opera opera Human hepatic intrinsic clearance  QSAR applicability domain index
ad_index_fub_opera opera Human plasma fraction unbound QSAR applicability domain index
ad_index_km_opera opera The whole body primary biotransformation rate (half-life) constant for organic chemicals in fish. QSAR applicability domain index
ad_index_koa_opera opera partition coefficient   QSAR applicability domain index
ad_index_logd_opera opera partition coefficient   QSAR applicability domain index
ad_index_logp_opera opera partition coefficient LogKow QSAR applicability domain index
ad_km_opera opera The whole body primary biotransformation rate (half-life) constant for organic chemicals in fish. QSAR within applicability domain
ad_koa_opera opera partition coefficient   QSAR within applicability domain
ad_logd_opera opera partition coefficient   QSAR within applicability domain
ad_logp_opera opera partition coefficient LogKow QSAR within applicability domain
bcf_predrange_opera opera BCF   QSAR OPERA Fish Bioconcentration factor
caco2_exp_opera opera Caco-2 permeability (logPapp) log(cm/s) experimental data
caco2_pred_opera opera Caco-2 permeability (logPapp) log(cm/s) QSAR OPERA
caco2_predrange_opera opera Caco-2 permeability (logPapp) log(cm/s) QSAR OPERA
clint_exp_opera opera Human hepatic intrinsic clearance  ul/min/10^6 cells experimental data
clint_pred_opera opera Human hepatic intrinsic clearance  ul/min/10^6 cells QSAR OPERA
clint_predrange_opera opera Human hepatic intrinsic clearance  ul/min/10^6 cells QSAR OPERA
conf_index_bcf_opera opera BCF   QSAR confidence index
conf_index_caco2_opera opera Caco-2 permeability (logPapp) QSAR confidence index
conf_index_clint_opera opera Human hepatic intrinsic clearance  QSAR confidence index
conf_index_fub_opera opera Human plasma fraction unbound QSAR confidence index
conf_index_km_opera opera The whole body primary biotransformation rate (half-life) constant for organic chemicals in fish. QSAR confidence index
conf_index_koa_opera opera partition coefficient   QSAR confidence index
conf_index_logd_opera opera partition coefficient   QSAR confidence index
conf_index_logp_opera opera partition coefficient LogKow QSAR confidence index
fub_exp_opera opera Human plasma fraction unbound experimental data
fub_pred_opera opera Human plasma fraction unbound QSAR OPERA
fub_predrange_opera opera Human plasma fraction unbound QSAR OPERA
km_predrange_opera opera The whole body primary biotransformation rate (half-life) constant for organic chemicals in fish. Log10 days QSAR OPERA
koa_predrange_opera opera partition coefficient   QSAR OPERA KoA
logbcf_exp_opera opera BCF   experimental data Fish Bioconcentration factor
logbcf_pred_opera opera BCF   QSAR OPERA Fish Bioconcentration factor
logd55_pred_opera opera QSAR OPERA Octanol-water distribution coefficient pH 7.4 QSAR OPERA Octanol-water distribution coefficient pH 5.5
logd55_predrange_opera opera QSAR OPERA Octanol-water distribution coefficient pH 7.5 QSAR OPERA Octanol-water distribution coefficient pH 5.5
logd74_pred_opera opera QSAR OPERA Octanol-water distribution coefficient pH 7.4 QSAR OPERA Octanol-water distribution coefficient pH 7.4
logd74_predrange_opera opera QSAR OPERA Octanol-water distribution coefficient pH 7.5 QSAR OPERA Octanol-water distribution coefficient pH 7.4
logkm_exp_opera opera The whole body primary biotransformation rate (half-life) constant for organic chemicals in fish. Log10 days experimental data
logkm_pred_opera opera The whole body primary biotransformation rate (half-life) constant for organic chemicals in fish. Log10 days QSAR OPERA
logkoa_exp_opera opera partition coefficient   experimental data Koa
logkoa_pred_opera opera partition coefficient   QSAR OPERA KoA
logp_exp_opera opera partition coefficient LogKow experimental data
logp_pred_opera opera partition coefficient LogKow QSAR OPERA
logp_predrange_opera opera partition coefficient LogKow QSAR OPERA
ionization_opera opera      
ad_index_koc_opera opera partition coefficient   QSAR applicability domain index
ad_koc_opera opera partition coefficient   QSAR within applicability domain
conf_index_koc_opera opera partition coefficient   QSAR confidence index
koc_predrange_opera opera partition coefficient Log10 L/Kg QSAR OPERA
logkoc_exp_opera opera partition coefficient Log10 L/Kg experimental data
logkoc_pred_opera opera partition coefficient Log10 L/Kg QSAR OPERA
ad_aoh_opera opera OH rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals QSAR within applicability domain
ad_biodeg_opera opera biodeg   QSAR within applicability domain
ad_index_aoh_opera opera OH rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals QSAR applicability domain index
ad_index_biodeg_opera opera biodeg   QSAR applicability domain index
ad_index_readybiodeg_opera opera biodeg   QSAR applicability domain index
ad_readybiodeg_opera opera biodeg   QSAR within applicability domain
biodeg_exp_opera opera biodeg log10 days experimental data biodeg halflives
biodeg_loghalflife_pred_opera opera biodeg log10 days QSAR OPERA biodeg halflives
biodeg_predrange_opera opera biodeg log10 days QSAR OPERA biodeg halflives
conf_index_aoh_opera opera OH rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals QSAR confidence index
conf_index_biodeg_opera opera biodeg   QSAR confidence index
conf_index_readybiodeg_opera opera biodeg   QSAR confidence index
readybiodeg_exp_opera opera biodeg   experimental data ready biodeg
readybiodeg_pred_opera opera biodeg   QSAR OPERA ready biodeg
ad_bp_opera opera boiling point   QSAR within applicability domain
ad_hl_opera opera Henry’s Law constant (air/water partition coefficient) at 25C QSAR within applicability domain
ad_index_bp_opera opera boiling point   QSAR applicability domain index
ad_index_hl_opera opera Henry’s Law constant (air/water partition coefficient) at 25C QSAR applicability domain index
ad_index_pka_opera opera     QSAR applicability domain index
ad_index_vp_opera opera Vapour pressure   QSAR applicability domain index
ad_index_ws_opera opera Water solubility 25*C   QSAR applicability domain index
ad_pka_opera opera     QSAR within applicability domain
ad_vp_opera opera Vapour pressure   QSAR within applicability domain
ad_ws_opera opera Water solubility 25*C   QSAR within applicability domain
bp_exp_opera opera boiling point °C experimental data
bp_pred_opera opera boiling point °C QSAR OPERA
bp_predrange_opera opera boiling point °C QSAR OPERA
conf_index_bp_opera opera boiling point   QSAR confidence index
conf_index_hl_opera opera Henry’s Law constant (air/water partition coefficient) at 25C QSAR confidence index
conf_index_pka_opera opera     QSAR confidence index
conf_index_vp_opera opera Vapour pressure   QSAR confidence index
conf_index_ws_opera opera Water solubility 25*C   QSAR confidence index
hl_predrange_opera opera Henry’s Law constant (air/water partition coefficient) at 25C Log10 atm-m3/mole QSAR OPERA
loghl_exp_opera opera Henry’s Law constant (air/water partition coefficient) at 25C Log10 atm-m3/mole experimental data
loghl_pred_opera opera Henry’s Law constant (air/water partition coefficient) at 25C Log10 atm-m3/mole QSAR OPERA
logoh_exp_opera opera OH rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals Log10 cm3/molecule-sec experimental data
logoh_pred_opera opera OH rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals Log10 cm3/molecule-sec QSAR OPERA
logoh_predrange_opera opera OH rate constant for the atmospheric, gas-phase reaction between photochemically produced hydroxyl radicals and organic chemicals Log10 cm3/molecule-sec QSAR OPERA
logvp_exp_opera opera Vapour pressure Log10 mmHG experimental data
logvp_pred_opera opera Vapour pressure Log10 mmHG QSAR OPERA
logws_exp_opera opera Water solubility 25*C Log10 moles/L experimental data
logws_pred_opera opera Water solubility 25*C Log10 moles/L QSAR OPERA
pka_a_exp_opera opera Logarithmic (acid) dissociation constant experimental data pKa
pka_a_pred_opera opera Logarithmic (acid) dissociation constant QSAR OPERA
pka_a_predrange_opera opera Logarithmic (acid) dissociation constant QSAR OPERA
pka_b_exp_opera opera Logarithmic (basic) dissociation constant experimental data pKb
pka_b_pred_opera opera Logarithmic (basic) dissociation constant QSAR OPERA
pka_b_predrange_opera opera Logarithmic (basic) dissociation constant QSAR OPERA
vp_predrange_opera opera Vapour pressure Log10 mmHG QSAR OPERA
ws_predrange_opera opera Water solubility 25*C Log10 moles/L QSAR OPERA
ad_catmos_opera opera     QSAR within applicability domain
ad_cerapp_ago_opera opera     QSAR within applicability domain
ad_cerapp_anta_opera opera     QSAR within applicability domain
ad_cerapp_bind_opera opera     QSAR within applicability domain
ad_compara_ago_opera opera     QSAR within applicability domain
ad_compara_anta_opera opera     QSAR within applicability domain
ad_compara_bind_opera opera     QSAR within applicability domain
ad_index_catmos_opera opera     QSAR applicability domain index
ad_index_cerapp_ago_opera opera edc_pred_uncertainty   QSAR applicability domain index
ad_index_cerapp_anta_opera opera edc_pred_uncertainty   QSAR applicability domain index
ad_index_cerapp_bind_opera opera pred_edc; edc_pred_uncertainty   QSAR applicability domain index
ad_index_compara_ago_opera opera edc_pred_uncertainty   QSAR applicability domain index
ad_index_compara_anta_opera opera edc_pred_uncertainty   QSAR applicability domain index
ad_index_compara_bind_opera opera pred_edc; edc_pred_uncertainty   QSAR applicability domain index
catmos_epa_pred_opera opera Collaborative Acute Toxicity Modeling Suite.  EPA_categories. 1 is LD50 ≤ 50 mg/kg; 2 is LD50 > 50 to ≤ 500 mg/kg; 3 is LD50 >500 to LD50 ≤ 5000 mg/kg; 4 is LD50 >5000 mg/kg QSAR OPERA
catmos_ghs_pred_opera opera Collaborative Acute Toxicity Modeling Suite. GHS_categories. 1 is LD50 ≤ 5 mg/kg; 2 is LD50 > 5 to ≤ 50 mg/kg; 3 is LD50 >50 to LD50 ≤ 300 mg/kg; 4 is LD50 >300 to LD50 ≤ 2000 mg/kg; 5 is LD50 >2000 mg/kg QSAR OPERA
catmos_ld50_exp_opera opera Collaborative Acute Toxicity Modeling Suite. LD50 point estimate model mg/kg experimental data
catmos_ld50_pred_opera opera Collaborative Acute Toxicity Modeling Suite. LD50 point estimate model mg/kg QSAR OPERA
catmos_ld50_predrange_opera opera Collaborative Acute Toxicity Modeling Suite. LD50 point estimate model mg/kg QSAR OPERA
catmos_nt_pred_opera opera Collaborative Acute Toxicity Modeling Suite. Nontoxic. LD50 > 2000 mg/kg vs LD50  ≤ 2000 mg/kg QSAR OPERA
catmos_vt_pred_opera opera Collaborative Acute Toxicity Modeling Suite. very_toxic LD50 ≤ 50 mg/kg vs LD50 > 50 mg/kg QSAR OPERA
cerapp_ago_exp_opera opera Collaborative Estrogen Receptor Activity Prediction Project. Agonist consensus experimental data
cerapp_ago_pred_opera opera Collaborative Estrogen Receptor Activity Prediction Project. Agonist consensus QSAR OPERA
cerapp_anta_exp_opera opera Collaborative Estrogen Receptor Activity Prediction Project. Antagonist consensus experimental data
cerapp_anta_pred_opera opera Collaborative Estrogen Receptor Activity Prediction Project. Antagonist consensus QSAR OPERA
cerapp_bind_exp_opera opera Collaborative Estrogen Receptor Activity Prediction Project. Binding consensus experimental data
cerapp_bind_pred_opera opera Collaborative Estrogen Receptor Activity Prediction Project. Binding consensus QSAR OPERA
compara_ago_exp_opera opera Collaborative Modeling Project for Androgen Receptor. Agonist consensus experimental data
compara_ago_pred_opera opera Collaborative Modeling Project for Androgen Receptor. Agonist consensus QSAR OPERA
compara_anta_exp_opera opera Collaborative Modeling Project for Androgen Receptor. Antagonist consensus experimental data
compara_anta_pred_opera opera Collaborative Modeling Project for Androgen Receptor. Antagonist consensus QSAR OPERA
compara_bind_exp_opera opera Collaborative Modeling Project for Androgen Receptor. Binding consensus experimental data
compara_bind_pred_opera opera Collaborative Modeling Project for Androgen Receptor. Binding consensus QSAR OPERA
conf_index_catmos_opera opera     QSAR confidence index
conf_index_cerapp_ago_opera opera     QSAR confidence index
conf_index_cerapp_anta_opera opera     QSAR confidence index
conf_index_cerapp_bind_opera opera     QSAR confidence index
conf_index_compara_ago_opera opera     QSAR confidence index
conf_index_compara_anta_opera opera     QSAR confidence index
conf_index_compara_bind_opera opera     QSAR confidence index
Product_volume_3y_Norway produktregisteret Norwegian product register tonnage imported or produced over 3 years
long_range_transport_potential Script not completed assessment  
pred_sample_matrix Script estimated sample matriks based on fugacity and B and M score
pred_sample_matrix_percent Script estimated sample matriks based on fugacity and B and M score
usage_score_Norway Script based on Norwegian PR and REACH  
b_echa_exp Script B      
b_echa_pred Script B      
b_pred_uncertainty Script B      
b_reliability_score Script B      
b_score Script B      
exp_b Script B b_reliability_score, b_score    
pred_b Script B b_reliability_score, b_score    
exp_m Script M m_reliability_score, m_score    
m_reliability_score Script M      
m_score Script M      
pred_m Script M m_reliability_score, m_score    
has_empodat Script monitoring monitoring program empodat  
p_echa_exp Script P      
p_echa_pred Script P      
p_exp Script P      
p_pred Script P      
p_pred_uncertainty Script P ad_index_biodeg + ad_index_readybiodeg     
p_reliability_score Script P      
p_score Script P      
pred_mod_p Script P p_pred_uncertainty + ad_index_biodeg + ad_index_readybiodeg   
pred_p_opera Script P pred_mod_p + biodeg_loghalflife_pred + readybiodeg_pred    
edc_pred_uncertainty Script T ad_index_cerapp_anta,ad_index_cerapp_ago,ad_index_cerapp_bind,ad_index_compara_ago,ad_index_compara_anta,ad_index_compara_bind
pred_edc Script T      
pred_t_aqua Script T pred T category     
pred_t_rat Script T      
t_echa_exp Script T exp T category    
t_echa_pred Script T pred T category     
t_enviro_reliability_score Script T t_echa_exp; t_exp_enviro; t_pred_norman    
t_enviro_score Script T t_echa_exp; t_exp_enviro; pred_t_aqua    
t_human_score Script T      
t_pred_norman Script T enviro tox pred EC or LC50 µg/L  
t_pred_norman_species_aqua Script T most sensitive species  
t_pred_test_min_aqua Script T t_pred_test_species_aqua Mol/L  
t_pred_test_species_aqua Script T most sensitive species  
t_pred_test_value Script T enviro tox pred EC or LC50 g/L  
t_tot_score Script T      
totaldetect_n_sediment_Norway Vannmiljø detected in air samples detection in Norwegian environment
totaldetect_n__air_Norway Vannmiljø detected in articles   detection in Norwegian environment
totaldetect_n__articles_Norway Vannmiljø detected in biota   detection in Norwegian environment
totaldetect_n__water_Norway Vannmiljø detected in sediment   detection in Norwegian environment
totaldetect_n__biota_Norway Vannmiljø detected in water   detection in Norwegian environment
samples_n__sediment_Norway Vannmiljø number of samples analyzed detection in Norwegian environment
samples_n__air_Norway Vannmiljø number of samples analyzed detection in Norwegian environment
samples_n__articles_Norway Vannmiljø number of samples analyzed detection in Norwegian environment
samples_n__water_Norway Vannmiljø number of samples analyzed detection in Norwegian environment
samples_n__biota_Norway Vannmiljø number of samples analyzed detection in Norwegian environment
detect_freq_percent__sediment_Norway Vannmiljø % positive detection in matrix detection in Norwegian environment
detect_freq_percent__air_Norway Vannmiljø % positive detection in matrix detection in Norwegian environment
detect_freq_percent__articles_Norway Vannmiljø % positive detection in matrix detection in Norwegian environment
detect_freq_percent__water_Norway Vannmiljø % positive detection in matrix detection in Norwegian environment
detect_freq_percent__biota_Norway Vannmiljø % positive detection in matrix detection in Norwegian environment
is_in_Vannmiljo   har vannmiljødata    
vannmiljo_parameter_id_Norway Vannmiljø unik ID for vannmiljø    

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