open-systems-pharmacology/database-for-observed-data

Database for published pharmacokinetic data

Database for observed data

This database (ObsDataPK_OSP.xlsx) stores pharmacokinetic data from publicly available sources (e.g. peer-reviewed articles etc.). The database is described in the data item specification list: obsDataPK_OSP_DISL.docx.

Respective PK data have carefully been transferred and digitized from the referenced original sources.

The sub-database DDI.csv represents the sheet DDI of ObsDataPK_OSP.xlsx and may serve as input to qualification plans in the context of drug-drug interactions (DDI).

database-for-observed-data's Issues

Study ID for Fluvoxamine-Sildenafil-DDI in DDI sheet incorrect

ID 16068 refers to the control group of Hesse 2005, but treatment group ID 16069 should be listed here

DDI.csv Empty entries in the mechanism column

For some observed data records the Mechanism column is empty in the DDI table:

Entries with empty Mechanism

ID	Study ID	Reference	Grouping	Victim	Perpetrator	Route Victim	Route Perpetrator	Mechanism
401	Saari 2006	https://www,ncbi,nlm,nih,gov/pubmed/16580904	po with Perpetrator (Voriconazole)	Midazolam	Voriconazole	PO	PO
404	Saari 2006	https://www,ncbi,nlm,nih,gov/pubmed/16580904	iv with Perpetrator (Voriconazole)	Midazolam	Voriconazole	IV	PO
761	Kharasch 2011b	https://www,ncbi,nlm,nih,gov/pmc/articles/PMC3584707/	Alfentanil IV Grapefruit coadmin sequential	Alfentanil	Grapefruit juice	IV	PO
765	Kharasch 2011b	https://www,ncbi,nlm,nih,gov/pmc/articles/PMC3584707/	Alfentanil IV Grapefruit coadmin simultaneous	Alfentanil	Grapefruit juice	IV	PO
769	Kharasch 2011b	https://www,ncbi,nlm,nih,gov/pmc/articles/PMC3584707/	Alfentanil PO Grapefruit coadmin sequential	Alfentanil	Grapefruit juice	PO	PO
773	Kharasch 2011b	https://www,ncbi,nlm,nih,gov/pmc/articles/PMC3584707/	Alfentanil PO Grapefruit coadmin simultaneous	Alfentanil	Grapefruit juice	PO	PO
1106	Fleishaker 1994	https://www,ncbi,nlm,nih,gov/pubmed/8005185	Fluvoxamine + alprazolam	Fluvoxamine	Alprazolam	PO	PO
1114	Fleishaker 1994	https://www,ncbi,nlm,nih,gov/pubmed/8005185	Fluvoxamine + alprazolam (day 10)	Fluvoxamine	Alprazolam	PO	PO
211	Jacobson 2004	https://pubmed,ncbi,nlm,nih,gov/15518608/	Pravastatin with Itraconazole	Pravastatin	Itraconazole	PO	PO
1124	Neuvonen 1998	https://pubmed,ncbi,nlm,nih,gov/9542477/	Pravastatin with Itraconazole	Pravastatin	Itraconazole	PO	PO
1126	Kantola 2000	https://pubmed,ncbi,nlm,nih,gov/10952477/	Pravastatin with Fluconazole	Pravastatin	Fluconazole	PO	PO
1129	Maeda 2011	https://pubmed,ncbi,nlm,nih,gov/21832990/	Pravastatin with Itraconazole	Pravastatin	Itraconazole	PO	PO
1130	Maeda 2011	https://pubmed,ncbi,nlm,nih,gov/21832990/	Pravastatin with Rifampicin	Pravastatin	Rifampicin	PO	PO
1146	Azie 1998	https://pubmed,ncbi,nlm,nih,gov/9797793/	with Diltiazem	Pravastatin	Diltiazem	PO	PO
1149	Lutz 2018a	https://pubmed,ncbi,nlm,nih,gov/29569723/	Cohort 2, 2 mg Rifampicin	Pravastatin	Rifampicin	PO	PO
1150	Lutz 2018a	https://pubmed,ncbi,nlm,nih,gov/29569723/	Cohort 1, 10 mg Rifampicin	Pravastatin	Rifampicin	PO	PO
1151	Lutz 2018a	https://pubmed,ncbi,nlm,nih,gov/29569723/	Cohort 1, 75 mg Rifampicin	Pravastatin	Rifampicin	PO	PO
1152	Lutz 2018a	https://pubmed,ncbi,nlm,nih,gov/29569723/	Cohort 2, 600 mg Rifampicin	Pravastatin	Rifampicin	PO	PO
1169	Jacobson 2004	https://pubmed,ncbi,nlm,nih,gov/15518608/	Pravastatin with Verapamil	Pravastatin	Verapamil	PO	PO
1172	Jacobson 2004	https://pubmed,ncbi,nlm,nih,gov/15518608/	Pravastatin with Clarithromycin	Pravastatin	Clarithromycin	PO	PO
1174	Yee 2019	https://pubmed,ncbi,nlm,nih,gov/30982223/	Pravastatin with Cyclosporin	Pravastatin	Cyclosporin	PO	PO
1183	Becquemont 2007	https://pubmed,ncbi,nlm,nih,gov/17301736/	with Amiodarone	Pravastatin	Amiodarone	PO	PO
1185	Mazzu 2000	https://pubmed,ncbi,nlm,nih,gov/11061579/	Pravastatin + Itraconazole	Pravastatin	Itraconazole	PO	PO
1198	Kyrklund 2003	https://pubmed,ncbi,nlm,nih,gov/12811363/	with Gemfibrozil	Pravastatin	Gemfibrozil	PO	PO
1200	Kyrklund 2004	https://pubmed,ncbi,nlm,nih,gov/14748817/	with Rifampicin (MD 600 mg)	Pravastatin	Rifampicin	PO	PO
3003	Verstuyft 2003	https://pubmed,ncbi,nlm,nih,gov/12545143/	0,5mg with dipyridamole	Digoxin	Dipyridamole	PO	PO
3014	Ding 2004	https://pubmed,ncbi,nlm,nih,gov/15229466/	0,5mg iv with ritonavir	Digoxin	Ritonavir	IV	PO
3022	Lalonde 1985	https://pubmed,ncbi,nlm,nih,gov/3978996/	0,01mg/kg charcoal	Digoxin	Charcoal	IV	PO
3025	Rengelshausen 2003	https://pubmed,ncbi,nlm,nih,gov/12848773/	0,75mg/kg po with clarithromycin	Digoxin	Clarithromycin	PO	PO
3028	Tsutsumi 2002	https://pubmed,ncbi,nlm,nih,gov/12362931/	0,5mg iv with erythromycin	Digoxin	Erythromycin	IV	PO
3029	Tsutsumi 2002	https://pubmed,ncbi,nlm,nih,gov/12362931/	0,5mg iv with clarithromycin	Digoxin	Clarithromycin	IV	PO
3031	Tsutsumi 2002	https://pubmed,ncbi,nlm,nih,gov/12362931/	0,5mg iv with erythromycin	Digoxin	Erythromycin	IV	PO
3032	Tsutsumi 2002	https://pubmed,ncbi,nlm,nih,gov/12362931/	0,5mg iv with clarithromycin	Digoxin	Clarithromycin	IV	PO
3034	Becquemont 2001	https://pubmed,ncbi,nlm,nih,gov/11673746/	0,5mg po with grapefruit juice	Digoxin	Grapefruit Juice	PO	PO
3036	Eckermann 2012	https://pubmed,ncbi,nlm,nih,gov/21257799/	0,25mg po with roflumilast	Digoxin	Roflumilast	PO	PO
3044	Martin 1997	https://pubmed,ncbi,nlm,nih,gov/9205830/	0,6mg po with Eprosartan	Digoxin	Eprosartan	PO	PO
3046	Oosterhuis 1991	https://pubmed,ncbi,nlm,nih,gov/1954072/	1mg po with omeprazole	Digoxin	Omeprazole	PO	PO
3048	Ragueneau 1999	https://pubmed,ncbi,nlm,nih,gov/10510161/	0,5mg po with clarithromycin	Digoxin	Clarithromycin	PO	PO
3050	Tayrouz 2003	https://pubmed,ncbi,nlm,nih,gov/12732840/	0,5mg po with Cremophor RH40	Digoxin	Cremophor Rh40	PO	PO
3052	Westphal 2000	https://pubmed,ncbi,nlm,nih,gov/10945310/	0,5mg po with talinolol p,o.	Digoxin	Talinolol	PO	PO
3053	Westphal 2000	https://pubmed,ncbi,nlm,nih,gov/10945310/	0,5mg po with talinolol i,v.	Digoxin	Talinolol	PO	PO
3056	Friedrich 2011	https://pubmed,ncbi,nlm,nih,gov/21340661/	0,25mg po md with linagliptin	Digoxin	Linagliptin	PO	PO
3060	Kirch 1986	https://pubmed,ncbi,nlm,nih,gov/3943268/	2x0,25mg po md with nifedipine	Digoxin	Nifedipine	PO	PO
3063	Rodin 1988	https://pubmed,ncbi,nlm,nih,gov/2967742/	2x0,25mg po md with verapamil	Digoxin	Verapimil	PO	PO
3065	Rodin 1988	https://pubmed,ncbi,nlm,nih,gov/2967742/	2x0,25mg po md with isradipine	Digoxin	Isradipine	PO	PO
3067	Vaidyanathan 2008	https://pubmed,ncbi,nlm,nih,gov/18784280/	0,25mg po pd with aliskiren	Digoxin	Aliskiren	PO	PO
3077	Sanofi-Aventis 2009	https://www,accessdata,fda,gov/drugsatfda_docs/nda/2009/022425s000_ClinPharm_P2,pdf	0,25mg md QD with dronedarone 400mg bid	Digoxin	dronedarone	PO	PO
3078	Qiu 2010	https://ascpt,onlinelibrary,wiley,com/doi/epdf/10,1038/clpt,2009,277	0,125mg md QD with dimebon 20mg TID	Digoxin	dimebon	PO	PO
6110	Balogh 1995	https://pubmed,ncbi,nlm,nih,gov/7589032/	Caffeine + Ethinylestradiol	Caffeine	Ethinylestradiol	PO	PO
10027	Yu 2001	https://pubmed,ncbi,nlm,nih,gov/11309556/	EM Moclobemide + Omeprazole	Moclobemide	Omeprazole	PO	PO
11048	Cho 2002	https://pubmed,ncbi,nlm,nih,gov/11966672/	EM + moclobemide	Omeprazole	Moclobemide	PO	PO
11049	Cho 2002	https://pubmed,ncbi,nlm,nih,gov/11966672/	PM + moclobemide	Omeprazole	Moclobemide	PO	PO
11050	Yasui-Furukori 2004	https://pubmed,ncbi,nlm,nih,gov/15025747/	Omeprazole + Fluvoxamine (EM)	Omeprazole	Fluvoxamine	PO	PO
11052	Yasui-Furukori 2004	https://pubmed,ncbi,nlm,nih,gov/15025747/	Omeprazole + Fluvoxamine (PM)	Omeprazole	Fluvoxamine	PO	PO
13017	Granfors 2004	https://pubmed,ncbi,nlm,nih,gov/14998432/	Tizanidine + Fluvoxamine	Tizanidine	Fluvoxamine	PO	PO
13018	Momo 2010	https://pubmed,ncbi,nlm,nih,gov/19789372/	Tizanidine + Mexiletine	Tizanidine	Mexiletine	PO	PO
14002	Granfors 2005	https://pubmed,ncbi,nlm,nih,gov/16198659/	Tizanidine + Ethinylestradiol	Tizanidine	Ethinylestradiol	PO	PO
14004	Jeppesen 1996	https://pubmed,ncbi,nlm,nih,gov/8807660/	Caffeine + Fluvoxamine	Caffeine	Fluvoxamine	PO	PO
14006	Culm-Merdek 2005	https://pubmed,ncbi,nlm,nih,gov/16236038/	Caffeine + Fluvoxamine	Caffeine	Fluvoxamine	PO	PO
14008	Joeres 1987	https://pubmed,ncbi,nlm,nih,gov/3628469/	Caffeine + Mexiletine	Caffeine	Mexiletine	PO	PO
14010	Kusumoto 2001	https://pubmed,ncbi,nlm,nih,gov/11240973/	Mexiletine + Fluvoxamine	Mexiletine	Fluvoxamine	PO	PO
15001	Yao 2003	https://pubmed,ncbi,nlm,nih,gov/12695344/	With 37,5mg Fluvoxamine	S-Mephenytoin	Fluvoxamine	PO	PO
15002	Yao 2003	https://pubmed,ncbi,nlm,nih,gov/12695344/	With 62,5mg Fluvoxamine	S-Mephenytoin	Fluvoxamine	PO	PO
15003	Yao 2003	https://pubmed,ncbi,nlm,nih,gov/12695344/	With 87,5mg Fluvoxamine	S-Mephenytoin	Fluvoxamine	PO	PO

This results in subchapters with empty title in the DDI reports, if the subplots by "Mechanism" are selected by user.
It would be better to fill "Unspecified" or "Mixed" or whatever instead.

Data for Tsutsumi 2002 have duplicate time values (ID: 3030, 3031, 3032)

Values at 96 h for Tsutsumi 2002 are duplicates (ID: 3030, 3031, 3032):

Change character encoding scheme for R scripts to UTF-8

The script auxiliaryFunctions.R seems to be encoded using ANSI which sometimes makes troubles.

For example, when displaying the script in Raw mode, some special characters like µ are corrupted:

When I create a local Git clone of the repository and open the file in R, these special characters are neither correctly handled:

Changing the encoding scheme to UTF-8 might solve this.

DDI sheet: correct t_treatment_end for Gurley 2006/2007 (ID: 16324, 16328)

t_treatment_end should be 170 h for ID 16324 (Gurley 2006) and ID 16328 (Gurley 2007)

Release the new database version

Add A.RESCIGNO data for mefenamic acid

https://www.sciencedirect.com/science/article/abs/pii/S1043661896900808

New data for hyperforin, digoxin, verapamil, dabigatran, rosuvastatin, gemfibrozil and probenecid and data corrections

The database was expanded by data for hyperforin, digoxin, verapamil, dabigatran, rosuvastatin, gemfibrozil and probenecid (IDs 16201 - 16923). Furthermore, few errors in previously existing data for verapamil and digoxin were corrected.

Dayton 1963 has wrong PK-profile data points

PK-profiles 16918 - 16921 from Dayton 1963 seem incorrect.
It seems there was a mistake when digitised points were copied.

For example profile 16918 first has 8 correct timeconcentration values (0 - 25h; rows 27174 to 27181) but then also additionally 4 more data points (rows 27182 to 27185) for 0.5 to 33h which do not exist in the mapped IV profile. Instead, these data points belong to a PO profile in the same figure, but the corresponding PK profile is not defined in the "Studies" sheet.

Similarly study 16920 seems to have datapoints of not just 1 profile but 3...

Entry mistakes - how to correct? where to report?

Hey,

I am unsure how to best proceed, if I shall make a PR or just raise it here, but I found some mistakes in entries:

1. Study ID 1086 - 1089 (Lam 2003) says Avg Height is 168,8 "m"

-> this should be 168,8 "cm"
-> its obvious, but I also checked the original publication ("...the mean height was 168.8 ± 11.5 cm.")

I see that the ID was already highlighted in red, but I couldnt find any information what this means...

2. Study ID 10015 - 10026 (Raaflaub 1984)
   The Datapoints (of the IV PK profile) are not pointing to the correct Study IDs (10021 - 10026). But instead they also point to the PO study IDs from the same paper (10015 - 10020). The IV Studies (10021 - 10026) are then for this reason not having any associated PK data points.

New release incl. Cyp1a2 cyp2c19 data

@Yuri05 @sfrechen

As the PR #22 has been merged, the 'master' branch contains the data for CYP1A2 and CYP2C19 networks. Could you create a new release so I can use it in the qualification plans (here https://github.com/Open-Systems-Pharmacology/Qualification-DDI-CYP1A2 and here https://github.com/Open-Systems-Pharmacology/Qualification-DDI-CYP2C19)? Or how should I proceed?

Bovill 1984 entry has wrong dose Unit

hello,

I had a look at the paper of Bovill 1984 (id 5127) and it should have dose unit "µg/kg" instead of "mg/kg"

Remove BOM from DDI.csv

DDI sheet: remove newlines

The newlines in the DDI sheet of ObsDataPK_OSP.xlsx result in line breaks in DDI.csv and should be removed:

DDI.csv:

Error running script:

Running

fdir <- dirname(sys.frame(1)$ofile)

produces the error

Error in sys.frame(1) : not that many frames on the stack

Hesse 2005 (ID 16069): Change time values for sildenafil plasma conc in treatment phase

Looking at the information in the paper, it seems likely that sildenafil was administered in the morning. If administered in the evening (like fluvoxamine), blood sampling would have been during the night. Thus, I suggest shifting the time values by half a day to simulate administration in the morning.

Update utf8 check

Use osp-global workflow

Complete information on selected studies in Studies, DDI and Projects sheet

@PavelBal

Please complete information for the following studies in the Sheets Studies, DDI and Projects

ID	Study	Reference
6010	Yasui-Furukori 2004	https://pubmed.ncbi.nlm.nih.gov/15025747/
6011	Yasui-Furukori 2004	https://pubmed.ncbi.nlm.nih.gov/15025747/
6020	Cho 2002	https://pubmed.ncbi.nlm.nih.gov/11966672/
6021	Cho 2002	https://pubmed.ncbi.nlm.nih.gov/11966672/
6030	Yao 2003	https://pubmed.ncbi.nlm.nih.gov/12695344/
6031	Yao 2003	https://pubmed.ncbi.nlm.nih.gov/12695344/
6032	Yao 2003	https://pubmed.ncbi.nlm.nih.gov/12695344/
6040	Yu 2001	https://pubmed.ncbi.nlm.nih.gov/11309556/
6050	Granfors 2005	https://pubmed.ncbi.nlm.nih.gov/16198659/
6060	Jeppesen 1996	https://pubmed.ncbi.nlm.nih.gov/8807660/
6061	Culm-Merdek 2005	https://pubmed.ncbi.nlm.nih.gov/16236038/
6070	Granfors 2004	https://pubmed.ncbi.nlm.nih.gov/14998432/
6080	Joeres 1987	https://pubmed.ncbi.nlm.nih.gov/3628469/
6090	Momo 2010	https://pubmed.ncbi.nlm.nih.gov/19789372/
6100	Kusumoto 2001	https://pubmed.ncbi.nlm.nih.gov/11240973/
6110	Balogh 1995	https://pubmed.ncbi.nlm.nih.gov/7589032/

Dose-normalized concentration values for study ID 1196

Pravastatin plasma concentrations given for study ID 1196 (Park 2002, 60 mg PO) are normalized to a 10 mg dose and should be converted to absolute concentrations

Wrong time values for Tsutsumi 2002 (ID: 3028, 3029, 3031, 3032)

ID 3028, 3029: The time values for digoxin concentrations in the treatment phase seem to be shifted by 1 h relative to macrolide administration, yet there is no indication for it in the study. Should be corrected to simultaneous administration of macrolide + digoxin on Day 2.

ID 3031, 3032: The time values for the treatment phase should refer to the time after first erythromycin/clarithromycin dose and not to the time after first digoxin dose.

Ji 2008: Time for study arm 2 incorrect

Study IDs 960 - 963 have the wrong TAFD

Add UTF-8 check

Check on PR that all CSV files are UTF-8 encoded

Wrong t_treatment_0 for pravastatin DDI studies ID 211 & 1124

The value for t_treatment_0 in the sheet DDI is wrong for the following pravastatin DDI studies:

• Jacobson 2004, ID 211: t_treatment_0 should be 696 instead of 24 h
• Neuvonen 1998, ID 1124: t_treatment_0 should be 74 instead of 0 h

t_treatment_end is also wrong for Jacobson 2004 and should be adjusted accordingly

Kuhnz 1996

hello,

the Kuhnz 1996 (study ID 7012) indicates a treatment of 0.06 mg IV at time 0h.
However, data points after 168 h show another sudden peak in the plasma concentration.

The paper indicates that this is because a second IV was performed, but this information is missing in the Times of Administration entry. I am still not entirely sure I understand the standard nomenclature correctly, but maybe sth like "0-168". Although, this would also not be entirely correct, because this would still miss the information that subjects were given "daily oral doses of 0.06 mg
ethinyloestradiol for 8 days" before the second IV was performed. So maybe it would be more clean to split the 2 profiles? The paper itself (fig 1) also shows them as two independent lines...

Time values wrong for ID: 16073 (Muirhead 2002a, Treatment Phase)

In the study design by Muirhead 2002a (PMID: 11879258), erythromycin is only given for 5 days (from Day 2 - 6). In the treatment phase, sildenafil was administered 4 days and 1 h after initiation of erythromycin dosing, i.e. at 97 h. The time values for sildenafil plasma concentrations in the database should thus be shifted by 24 h

Function"getAverage" used in convert_XLS_to_JSON

Trying to execute the code, the function "getAverage" cannot be found. From which package does it come?

@sfrechen

Rengelshausen 2003 (ID 16410, 16411): wrong Grouping information for PO study arm

Dosing information in Grouping field should be 0.75 mg instead of 0.75 mg/kg

Inconsistent compound name for total dabigatran

Currently, total dabigatran is refered to as both total Dabigatran and Dagigatran total but only the latter is listed in the Analyte sheet with a molecular weight. This throws an error when running the R script and compound naming should be aligned

Time values for PK profile of study ID 1198 (Kyrklund 2003) are wrong

Time values of PK data for study ID 1198 (Kyrklund 2003) should start at 49 h (= administration of pravastatin after first dose of gemfibrozil) instead of 0 h

R-script run give error at 1rst compound building block (Rifampicin)

After including pediatric qualification related drug-datasets, i runned the r-script to generate data-building blocks, however at the first drug it already crashes, which is Rifampicin.

I dont know if this is a script bug, or dataset error! Please fix asap.

Message:

Error in getOrgan(studies$Compartment[SELECT_study], eachID) : 
  Unknown Compartment: Duodenum|Intracellular for 1358 
4.
stop("Unknown Compartment: ", compartment, " for ", eachID) at auxiliaryFunctions.R#229
3.
getOrgan(studies$Compartment[SELECT_study], eachID) 
2.
matrix(c("DB Version", "OSP DATABASE", "ID", as.character(studies$ID[SELECT_study]), 
    "Study Id", studies$Study[SELECT_study], "Reference", as.character(studies$Reference[SELECT_study]), 
    "Source", studies$Source[SELECT_study], "Grouping", studies$Grouping[SELECT_study], 
    "Data type", dataType, "N", ifelse(as.character(studies$N[SELECT_study]) !=  ... 
1.
as.data.frame(matrix(c("DB Version", "OSP DATABASE", "ID", as.character(studies$ID[SELECT_study]), 
    "Study Id", studies$Study[SELECT_study], "Reference", as.character(studies$Reference[SELECT_study]), 
    "Source", studies$Source[SELECT_study], "Grouping", studies$Grouping[SELECT_study], 
    "Data type", dataType, "N", ifelse(as.character(studies$N[SELECT_study]) !=  ... 

DDI.csv is broken

When trying to use the current DDI.csv within the reporting engine, an error is thrown:

Error using readtable (line 216)
Reading failed at line 248. All lines of a text file must have the same number of delimiters. Line 248 has 34 delimiters, while preceding lines have 41.

Looking at the csv, there is a newline entry in a data set:

coming from a cell with a new line in excel:

Please fix ASAP, I cannot fix it on my own as my systems locale csv export ist with , as delimiter and not ;.

Ochs 1975 entries

hello,

the Ochs 1975 entries (3000; 3068; 3080-3086) are described as having route = IV

however, the comment in "administered form" states that
"0.5 mg digoxin in 0.66 ml aqueous alcoholic solution (Lanicor ® Liquidum, Boehringer, Mannheim) was injected through the coloscope into the transverse colon"

so then wouldnt it be better/more accurate to change the route of these entries to (for example) "intracolonic"?
in the same way that the Cox 1986 study for example is tagged as route = intraduodenal ....
surely the PK profile looks significantly different from what it would look like after true IV administration...

Pediatrics.csv corrupted

In some records part was moved to the next line.

I really wonder why RE did not crash before. Now it does.

Add check for CSV validity

Unknown average type

When running the R script for the database I get the following error message:

Some lines have the average type Mean which is not accepted by the R script:

The allowed types are defined in the data item specification list

LLOQ data wrongly coded for Neuvonen 1996 (Itraconazole)

For study IDs 1077-1081 (Neuvonen 1996, Itraconazole), concentration data below LLOQ (0.1 ng/mL) are coded as <LLOQ in the Avg column. Should be coded as <0.1 otherwise R script aborts

Ragueneau 1999 (ID: 3047, 3048) has wrong project mapping and grouping information

The study by Ragueneau 1999 (ID: 3047, 3048) is mapped to the project Clarithromycin-Digoxin-DDI and has this information in the Grouping field:

However, this study did not investigate this drug combination, but used macrogol 4000 as perpetrator.

save DDI.csv as UTF-8

Provide description for the new release

New Release (1.4) just created (as prerelease). https://github.com/Open-Systems-Pharmacology/Database-for-observed-data/releases/tag/v1.4
Please provide the description for the release.

Lee 2021 (ID: 16065): Time values wrong

Time values for Lee 2021 (ID: 16065) should be 60 h lower

Lee 2021 (ID: 16066) time values too high

Time values for Lee 2021 (ID: 16066) should be 60 h lower

auxiliaryFunctions.R saved not as utf-8

Bovill 1984 entry has wrong dose Unit

hello,

I had a look at the paper of Bovill 1984 (id 5127) and it should have dose unit "µg/kg" instead of "mg/kg"

csv file should be "," separated not ";" separated

For instance DDI.csv

Include DDI data reported by Kanefendt et al. 2024 in database

The DDI data reported by Kanefendt et al. 2024 should be added to the database

Tsutsumi 2002 (ID: 3027) have wrong time values

The time values for Tsutsumi 2002 (ID: 3027) appear wrong. According to Fig. 1 in the publication, tmax should be at 1 h post dose. It seems that 1 h needs to be subtracted from all time values

Replace the DDI mechanism "Competitive_Inhibition" by "Reversible_Inhibition"

To include various types of reversible inhibition in one group for plotting, the suggested naming is preferred.

Wrong/Inconsistent comment(s)

In some newly added comments: numbers age given sometimes with "." as decimal separator, sometimes with ","
Comments are not evaluated by the qualification workflows, so it will not affect any qualification result, but is just inconsstent.

Also the representation of CI is different:
AUC(0-inf): -51.9–-0.4 [95%CI]; AUC(0-12): (-51,7 to -0,4) [95%CI];

And the numbers are wrong (negative AUC/Cmax)

Few entries are missing (e.g. PubMed link) in DDI.csv

@PavelBal

see #22

ID 1462: Carbamazepine PK data incomplete

For ID 1462 (Kahnefendt et al. 2023), the last three carbamazepine measurements are missing