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@datagrok/hit-triage

v1.3.11

Published

HitTriage helps chemists assess the quality of hits and decide which compounds should make it to the next stage.

Downloads

231

Vulnerabilities

Powered byPowered by Snyk
  • 0High
  • 0Medium
  • 0Low

Links

Git

Maintainers

aparamonov_datagrokaparamonov_datagrokskalkinskalkindskatovdskatovspodgrokspodgrokstleonidstleonid

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.