Tune featurisers set for predicting Adrenergic activities

[mkviatkovskii]

Currently we have multiple atom, bond and molecule featurisers. We need to create a preset of featurisers that will allow us to achieve good prediction results.

ToDo

• Test different combinations of featurisers to achieve max r^2 value on ADRA1A.
• Save this preset in a suitable format, that could be later used by users (better to create a class that contains list of featurisers for atoms, bonds and whole molecule).