Several research groups have combined AL with other strategies to sample high-energy configurations. For example, Meuwly et al. used AL based on a query by a committee at 1000 K to train MLP for a set of Diels-Alder 42 and hydrogen transfer reactions in the gas phase. Bombarelli et al. integrated AL and NEB driven by MLP to iteratively explore the PES of several organic reactions. Our group has employed AL coupled to MLP-MD downhill sampling from an optimized TS structure to model reactions in the gas phase, implicit, and explicit solvent. While acknowledging these successes, generating training data remains a bottleneck, in particular for systems involving flexible molecules or explicit solvent, where multiple local minima might be populated at the temperature of interest.