Pang, Na; Qian, Li; Lyu, Weimin; Yang, Jin-Dong - In: Data Technologies and Applications 56 (2021) 2, pp. 205-222
Purpose In computational chemistry, the chemical bond energy (pKa) is essential, but most pKa-related data are submerged in scientific papers, with only a few data that have been extracted by domain experts manually. The loss of scientific data does not contribute to in-depth and innovative...