Two types of feature vectors were tested in this study. The first vector includes 4096 bits from ECFP4 (of diameter 4), 166 MACCS keys and, 39 molecular descriptors from RDkit, resulting in a 4031-dimensional vector. The second vector includes 16384 bits solely from ECFP6 (of diameter 6) to discover bigger fragments, which determine the electronic properties of molecules. We call the first vector "Vector 1" and the second vector "Vector 2".