Learning ISMs in an exploratory fashion is challenging as the straightforward application of random torques bears the risk to destroy any manipulator if no further safety layers ... Rayyes R, Kubus D ...

In the present work, predictive quantitative structure–property relationship models have been developed to predict refractive indices (RIs) of a set of 221 diverse organic polymers using theoretical ...

This article describes an unsupervised machine learning method for computing distributed vector representation of molecular fragments. These vectors encode fragment features in a continuous ...