Here, we considered a MOF stable and suitable for catalysis if it maintains its structural integrity following solvent removal from its pores during activation, and under elevated temperatures typical in thermal catalysis (e.g., above 200 °C). We apply artificial neural network (ANN) models developed in prior work that predict the activation and thermal stabilities of a MOF from connectivity-based revised autocorrelations (RACs) and geometric descriptors. As in prior work, we start with the 10,143 non-disordered MOF structures in the 2019 Computation-Ready, Experimental All Solvent Removed (CoRE ASR) MOF database v.1.1.2 and retain 9,597 MOFs that we can featurize. From this set, the activation stability ANN predicts that 69.3% of the featurizable MOFs (6,649 MOFs) are stable upon activation (Figure ). We then label all activation-stable MOFs with their corresponding thermal decomposition temperatures as predicted by the thermal stability ANN and limit our analysis to MOFs containing a single transition-metal element corresponding to Mn, Fe, Co, or Cu, reducing our set to 1,737 MOFs (Figure ). We focus on these transition metals because they have been used for methane to methanol catalysis in biological, homogeneous, and heterogeneous systems. We limited our study to MOFs containing a single transition metal element to avoid studying systems with potential bifunctional catalytic sites that would be ambiguous to model (see Secs. 2b and 4) or for which it would be difficult to predict which transition metal center is the catalytically active species. Starting with the sanitized MOF structures contained in the CoRE MOF database, we eliminate MOFs that cannot be featurized. We then apply ANN-based activation and thermal stability prediction models to determine activation-stable MOFs and their corresponding decomposition temperatures and narrow our space down to MOFs containing a single transition metal element corresponding to Mn, Fe, Co, or Cu. This is followed by text mining of the MOF manuscripts to identify CoRE MOFs not previously studied for catalysis. Next, we only retain MOFs with confident activation stability and decomposition temperature predictions based on uncertainty quantification metrics and that have decomposition temperatures greater than 300°C. Finally, we eliminate MOFs with identical metal-centered features.