Welcome to the 2026 Chalmers AI Research Center Workshop for Structured Learning. In this workshop we broadly cover topics related to Structured Learning targeting specifically the following questions...

A regioselective synthesis of aromatic and aliphatic aza-saccharins as cyclic sulfonimidamide derivatives is reported, starting from easily accessible aryl sulfonimidoyl fluorides and primary or secon...

The FUERZA method and its modifications have greatly improved the generation of force field parameters from electronic structure calculations. The QFUERZA method presented here addresses some of the s...

The FUERZA method and its modifications have greatly improved the generation of accurate force field parameters from electronic structure calculations. The QFUERZA method presented here addresses some...

This paper presents the open-source machine learning model PATTCH, which predicts the reaction feasibility and site-selectivity of aromatic C─H thianthrenation reactions. The model was built using bo....

We present Precedent Finder, a cheminformatics search tool for locating relevant reaction information in chemical reaction databases. Precedent Finder is a multiobjective optimization, in that it retr...

We present Precedent Finder, a cheminformatics search tool for locating relevant reaction information in chemical reaction databases. Precedent Finder is a multiobjective optimization, in that it re...

The direct thianthrenation of aromatic C–H bonds is a valuable late-stage functionalization strategy that can assist, for example, the development of new drugs. We herein present a predictive computat...

A double cyclization strategy, involving sequential ruthenium-catalyzed azide alkyne cycloaddition (RuAAC) and hydrogen borrowing, allows the rapid assembly of tricyclic 1,5-fused 1,2,3-triazole piper...

The direct thianthrenation of aromatic C–H bonds is a valuable late-stage functionalization strategy that can assist, for example, the development of new drugs. We herein present a predictive computat...

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Route scouting, process research and development, and large-scale synthesis of phenol-substituted pyridopyridazinones (azaphthalazinones) and phthalazinones are reported. For the introduction of one o...