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

ABSTRACT: 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.

SUBMITTER: Bilsland AE 

PROVIDER: S-EPMC9579942 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature