. . . "Upon acceptance" . . . . . . . . . . . . "JCOHB3" . "320093938" . . . . . "Yes" . "2021" . . "J. Cheminform." . "1758-2946" . "8.489" . . "2009" . . . "Journal of Cheminformatics" . . . "Journal of Cheminformatics" .