Calculators

Five calculators without sign-up. Each calls exactly the tool a paying customer uses over the Model Context Protocol. The result is therefore the same, not a simplified demonstration.

No account, no email address, no counter before the result.

• ICH M7 quick classification

  Structural alert and statistical model in one pass, with class, mechanism and confidence.

• Molecular formula from exact mass

  Candidate formulas for a measured m/z, with mass error in ppm, RDBE and a plausibility score.

• Drug-likeness: Lipinski, Veber, QED

  Molecular weight, LogP, hydrogen bond donors and acceptors, TPSA, plus Lipinski, Veber, Ghose, QED and synthetic accessibility.

• Isotope pattern from molecular formula

  Theoretical isotope pattern with relative intensities, the cross-check for every formula assignment.

• HPLC starting method

  Column, eluents, gradient and flow as a starting point for the first injection.