Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters

Datasets related to the paper "Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters". Structures of all building blocks (cap_building_blocks.csv, bridge_building_blocks.csv, core_building_blocks.csv) Seed dataset of OSL emitters and their spectroscopic properties (seed_dataset_exp.csv) Full dataset of OSL emitters and their spectroscopic properties (full_dataset_exp.csv) Selected computed excited-state descriptors for training the graph neural network (seed_dataset_tddft.csv) Full dataset of computed excited-state descriptors (full_dataset_comp.csv) Raw HPLC-MS data of all synthesis – characterization runs (hplcms_runs.zip) Raw NMR data of all fully characterized compounds (nmr_data.zip)