The molecules were filtered via medicinal chemistry filters (MCFs) and PAINS filters. The dataset contains 1,936,962 molecular structures. For experiments, we split the dataset into a training, test ...

Calculating the rate of evolution in terms of nucleotide substitutions seems to give a value so high that many of the mutations involved must be neutral ones.

Molecular evolution is the area of evolutionary biology that studies evolutionary change at the level of the DNA sequence. It includes the study of rates of sequence change, relative importance of ...