Robert Fraczkiewicz

5PUBLICATIONS
2CO-AUTHORS
Characterisation of biological macromoleculesComputational chemistryEmpirical software engineeringAtomic and molecular physicsF-block chemistry
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Publications (5)

|Oct 01, 2025
What, This "Base" Is Not a Base? Common Misconceptions about Aqueous Ionization That May Hinder Drug Discovery and Development.

Robert Fraczkiewicz

|Apr 08, 2025
Thermodynamics-informed neural networks and extensive data sets: key factors to accurate blind predictions of apparent pKa values in the euroSAMPL challenge.

Robert Fraczkiewicz

|Jul 20, 2024
Best of both worlds: An expansion of the state of the art pKa model with data from three industrial partners.

Robert Fraczkiewicz, Huy Quoc Nguyen, Newton Wu

|Nov 30, 2023
Can an Amine Be a Weaker and a Stronger Base at the Same Time? Curious Cases of Chameleonic Ionization.

Robert Fraczkiewicz

|Apr 27, 2023
pK50─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds.

Robert Fraczkiewicz, Marvin Waldman

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Frequent Collaborators

1 joint publications

Marvin Waldman

1 joint publications

Michael Reutlinger