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Data & Tools · Calculators

Feature request: should a dose-equivalence tool exist at all?

Closed
GP
g.pemberton_ukTL3Regional · UK15 Dec 2024#1

Feature request: should a dose-equivalence tool exist at all? — that is the question, and I have not found it answered plainly anywhere I have looked.

Posting the method first, because I know what the first three replies will otherwise be.

  • Column: C18, 2.1 x 100 mm, 1.7 um
  • Mobile phase: 0.1% TFA in water / 0.1% TFA in acetonitrile
  • Gradient: 12% to 70% organic over 21 minutes
  • Detection: 214 nm
  • Injection: 6 uL
  • Sample: semaglutide, reconstituted to 2.0 mg/mL, injected within an hour

The main peak integrates at 96.1% of total area. There is a small feature on the trailing edge that I cannot decide is a shoulder or a baseline artefact, and that is what I am actually asking about.

43 likes 19mo
MG
m.guerreroTL2 Moderator19 Dec 2024#2

On the opening post — agreed on the reasoning, with one qualification.

Practical note that does not fit anywhere else. Whatever you conclude from this topic, write down what you did and when. The single most useful thing in your own records is not any individual result; it is that they are dated and consecutive.

0 likes 19mo
ST
stopper_traceTL2Member22 Dec 2024#3

Storage lookup: which conditions (temperature, time) are you considering storing in, and how much stability loss is expected? The calculator gives a rough estimate based on typical stability data. Not a substitute for your compound's specific stability data.

3 likes 19mo
NH
n.hartmannTL2 Moderator25 Dec 2024 · edited#4

Mass error checking: enter your observed mass and theoretical mass and check whether the difference in ppm is within reasonable bounds for your instrument. Useful sanity check on LC-MS results.

10 likes 19mo
VS
vial_slopeTL3Regular28 Dec 2024#5
m.guerrero, post #2: On the opening post — agreed on the reasoning, with one qualification. Practical note that does not fit anywhere else. Whatever you conclude from this topic, write down what you did and when. The single most useful thing in your own records is not any individual result; it is that they are dated and consecutive. Go to post

Thank you for the correction. I have edited my earlier post with a note rather than silently, so the thread still makes sense to read. The error was mine and it was the kind that comes from remembering a figure instead of looking it up.

16 likes in reply to #2 19mo
VM
v.malinowskiTL2 Moderator30 Dec 2024#6

Worth separating two things that post #2 runs together.

Why calculators are not medical advice: they do arithmetic. Medical decisions are not arithmetic. A calculator that says a certain dose is "compatible with" a certain body mass is not a prescription.

32 likes 19mo
N
NLoughranTL3Regular2 Jan 2025#7

This follows post #4 rather than contradicting it.

Precision and significant figures: the calculators do not round to match your input precision. If you input values to one decimal place, the output might have more. Use significant figures appropriate to your input precision.

1 like 19mo
IB
i.beaulieuTL2 Moderator4 Jan 2025#8

Offline use: all calculators are written in JavaScript and can be downloaded and run offline if desired. They do not require internet connectivity to function.

6 likes 19mo
I
IMainwaringTL36 Jan 2025#9
BA
b.adeyemiTL2 Moderator8 Jan 2025#10

Units: all calculators explicitly require units to be stated. This prevents the decimal-point errors that come from forgetting units. Always verify units in and out.

1 like 19mo
D
DKwiatkowskiTL3Regular10 Jan 2025#11

Coming back to post #9, because the follow-up matters more than the original answer.

Reporting bugs: if you notice a calculator giving wrong results, report it in this subcategory. Bugs are fixed when identified.

1 like 19mo
DA
d.achebeTL2 Moderator12 Jan 2025#12
stopper_trace, post #3: Storage lookup: which conditions (temperature, time) are you considering storing in, and how much stability loss is expected? The calculator gives a rough estimate based on typical stability data. Not a substitute for your compound's specific stability data. Go to post

Picking up post #9: that is the part I would want checked first.

I disagree with the reply above, and I think the disagreement is substantive rather than terminological.

The distinction being drawn does not survive when you look at the published data for this specific question. I would be glad to be shown wrong on this, because the version I am arguing against is more convenient.

0 likes in reply to #3 18mo
N
NorringtonTL3Regular14 Jan 2025#13

Reconstitution calculator: enter vial mass, final volume target, and the calculator tells you concentration and syringe mark for a given dose. Useful for double-checking arithmetic when you are doing it by hand.

22 likes 18mo
GT
g.tammTL2 Moderator16 Jan 2025#14

Dose equivalence calculator: compounds have different potencies. The calculator is provided with a caveat: "equivalence" is not precise and individual response varies. It is a rough starting point, not a dose prescription.

10 likes 18mo
D
DSakamotoTL3Regular18 Jan 2025 · edited#15

Practical note that does not fit anywhere else. Whatever you conclude from this topic, write down what you did and when. The single most useful thing in your own records is not any individual result; it is that they are dated and consecutive.

0 likes 18mo
CK
c.kuuselaTL2 Moderator20 Jan 2025#16
m.guerrero, post #2: On the opening post — agreed on the reasoning, with one qualification. Practical note that does not fit anywhere else. Whatever you conclude from this topic, write down what you did and when. The single most useful thing in your own records is not any individual result; it is that they are dated and consecutive. Go to post

This follows post #13 rather than contradicting it.

Offline use: all calculators are written in JavaScript and can be downloaded and run offline if desired. They do not require internet connectivity to function.

31 likes in reply to #2 18mo
TF
taper_fileTL3Regular22 Jan 2025#17

Precision and significant figures: the calculators do not round to match your input precision. If you input values to one decimal place, the output might have more. Use significant figures appropriate to your input precision.

16 likes 18mo
HK
h.krastevTL2 Moderator24 Jan 2025#18

Units: all calculators explicitly require units to be stated. This prevents the decimal-point errors that come from forgetting units. Always verify units in and out.

6 likes 18mo
DM
d.magalhesTL2Member26 Jan 2025#19

The calculators maintained on this site are open-source and verifiable. They are intended to check arithmetic, not to replace medical judgement. Using them is optional and they are provided for convenience.

0 likes 18mo
AW
am.wikstromTL2 Moderator27 Jan 2025#20

Reconstitution calculator: enter vial mass, final volume target, and the calculator tells you concentration and syringe mark for a given dose. Useful for double-checking arithmetic when you are doing it by hand.

23 likes 18mo
K
KTurkingtonTL3Regular29 Jan 2025#21
NLoughran, post #7: This follows post #4 rather than contradicting it. Precision and significant figures: the calculators do not round to match your input precision. If you input values to one decimal place, the output might have more. Use significant figures appropriate to your input precision. Go to post

Dose equivalence calculator: compounds have different potencies. The calculator is provided with a caveat: "equivalence" is not precise and individual response varies. It is a rough starting point, not a dose prescription.

0 likes in reply to #7 18mo
SB
s.bergstromTL2 Moderator31 Jan 2025#22
d.achebe, post #12: Picking up post #9: that is the part I would want checked first. I disagree with the reply above, and I think the disagreement is substantive rather than terminological. The distinction being drawn does not survive when you look at the published data for this specific question. I would be glad to be shown wrong on this, because the… Go to post

Titration planning: a calculator that shows you the escalation schedule for different starting and ending doses can help you visualize your path. Actual path might be slower or adjusted for tolerability.

3 likes in reply to #12 18mo
TI
trough_indexTL3Regular2 Feb 2025#23

post #22 answers the question as asked. The question underneath it is different.

Mass error checking: enter your observed mass and theoretical mass and check whether the difference in ppm is within reasonable bounds for your instrument. Useful sanity check on LC-MS results.

16 likes 18mo
FN
f.novakTL2 Moderator3 Feb 2025#24

On post #20 — agreed on the reasoning, with one qualification.

Practical note that does not fit anywhere else. Whatever you conclude from this topic, write down what you did and when. The single most useful thing in your own records is not any individual result; it is that they are dated and consecutive.

31 likes 18mo
BR
buffer_reviewTL3Regular5 Feb 2025#25
v.malinowski, post #6: Worth separating two things that post #2 runs together. Why calculators are not medical advice: they do arithmetic. Medical decisions are not arithmetic. A calculator that says a certain dose is "compatible with" a certain body mass is not a prescription. Go to post

Storage lookup: which conditions (temperature, time) are you considering storing in, and how much stability loss is expected? The calculator gives a rough estimate based on typical stability data. Not a substitute for your compound's specific stability data.

0 likes in reply to #6 18mo
AN
a.norgaardTL2 Moderator7 Feb 2025#26

Why calculators are not medical advice: they do arithmetic. Medical decisions are not arithmetic. A calculator that says a certain dose is "compatible with" a certain body mass is not a prescription.

1 like 18mo
This topic was closed 120 days after the last reply. Closing is automatic for quiet topics so that a settled answer does not collect new questions underneath it. If you have a follow-up, open a new topic and link back to this one — that keeps both readable and gives your question its own title.

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