Fig. 1.

Flow chart of the framework as developed in this work. (A) Multiscale features of 3 molecular graphs. (B) Features of 3 molecular graphs. (C) The working principle of NGNN.

Flow chart of the framework as developed in this work. (A) Multiscale features of 3 molecular graphs. (B) Features of 3 molecular graphs. (C) The working principle of NGNN.