Applications

Every page here carries a real result computed with our own tools, with input, tool name and run date. Technically reviewed before it appears.

• ICH M7 pre-screening of nitrosamine impurities: what the class actually tells you

  Four computed ICH M7 classifications, including the case where the structural alert and the statistical model disagree. With TTC threshold, mechanism, and what the class means for your next decision.

  Source-verified · 2026-08-03

• Molecular formula from exact mass: why 5 ppm is often not enough

  Two computed examples show the difference between an unambiguous and an ambiguous assignment. With mass error in ppm, RDBE, and the question of which candidate formula you may discard.

  Source-verified · 2026-08-04

• Predicting 1H shifts before you measure: what the confidence interval tells you

  Nine computed 1H shifts for paracetamol, each with a confidence interval. Why the width of the interval matters more for planning than the predicted value.

  Source-verified · 2026-08-04

• Planning an ICH Q1A stability study: 36 determinations for a 24-month shelf life

  A computed study plan for climatic zone II with conditions, timepoints and sample count. What the number 36 means for your lab planning and where it still changes.

  Source-verified · 2026-08-03

• HPLC starting method for an acidic compound: which gradient, and why TFA

  A computed method proposal for ibuprofen with column, eluents, gradient and predicted retention time. What of it is a starting point and what you will adjust at the instrument anyway.

  Source-verified · 2026-08-03