Calculated (ΔGbindCalc) and observed (ΔGbindObs) free energies of binding, and corresponding residuals (ΔGbindObs—ΔGbindCalc) for the training-set compounds (kJ mol-1).
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Calculated (ΔGbindCalc) and observed (ΔGbindObs) free energies of binding, and corresponding residuals (ΔGbindObs—ΔGbindCalc) for the training-set compounds (kJ mol-1).
创建时间：
2015-12-03
