@datagrok/hit-triage
v1.3.5
Published
HitTriage helps chemists assess the quality of hits and decide which compounds should make it to the next stage.
Downloads
286
Keywords
Readme
HitTriage
The HitTriage package is a powerful tool designed for molecule analysis and campaign management within the Datagrok environment. It consists of two applications: HitTriage and HitDesign.
The HitTriage application is designed for molecule analysis and filtering. It allows users to upload a dataset, filter it, calculate molecular properties, submit the results to any chosen function or query and share campaigns between users. More about HitTriage can be found here.
The HitDesign application is similar in terms of campaign management, but instead of uploading a dataset, users can sketch molecules, calculate molecular properties, filter and organize them in stages. More about HitDesign can be found here.