HOMO-LUMO energy gap (ΔE), molecular hardness(η), and molecular softness (S) energy score of the three lead compounds CID-6474893, 10469828, 135438111, and the control 44480399.
收藏Figshare2025-09-03 更新2026-04-28 收录
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https://figshare.com/articles/dataset/HOMO-LUMO_energy_gap_E_molecular_hardness_and_molecular_softness_S_energy_score_of_the_three_lead_compounds_CID-6474893_10469828_135438111_and_the_control_44480399_/30044960
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HOMO-LUMO energy gap (ΔE), molecular hardness(η), and molecular softness (S) energy score of the three lead compounds CID-6474893, 10469828, 135438111, and the control 44480399.
创建时间：
2025-09-03
