In our work, majorities of bitterants are downloaded from the publicly available BitterDB (Wiener et al., 2012), and the others are retrieved from the literature (Rodgers et al., 2006; Rojas et al., 2016). The total number of the bitterants is 707. However, the data source of the non-bitterants raises a tough issue, since most of the published works often did not report the non-bitterants due to the less scientific significance. Hence only 132 tasteless and 17 non-bitter compounds retrieved from the literature are treated as the non-bitterants (Huang et al., 2016; Rojas et al., 2016). In order to further extend the size of the bitterless dataset, we tentatively propose to use the sweet molecules that can be generally assumed as the non-bitterants. The sweet compounds are downloaded from the SuperSweet (Ahmed et al., 2011) and SweetenersDB (Chéron et al., 2017). Database and additionally gathered from the literature (Zhong et al., 2013; Cristian et al., 2016; Rojas et al., 2016), which results in 443 compounds. The whole dataset, containing 707 bitterants and 592 non-bitterants, is publicly available in our e-Bitter program, with which users can handily view the 3D structure of each compound and its corresponding label (Y: bitterant or N: non-bitterant).