Receive a weekly summary and discussion of the top papers of the week by leading researchers in the field.

Implementation of an AI-assisted fragment-generator in an open-source platform.

In RSC medicinal chemistry

We recently reported a deep learning model to facilitate fragment library design, which is critical for efficient hit identification. However, our model was implemented in Python. We have now created an implementation in the KNIME graphical pipelining environment which we hope will allow experimentation by users with limited programming knowledge.

Bilsland Alan E, Pugliese Angelo, Bower Justin

2022-Oct-19