Retrieve ChEMBL bioactivity data for molecules, targets, and indications via Python.
npx skills add https://github.com/PharMolix/OpenBioMed --skill chembl-query
Please help me install this Agent Skill. Skill: chembl-query Source: https://github.com/PharMolix/OpenBioMed/tree/main/skills/chembl-query Command: npx skills add https://github.com/PharMolix/OpenBioMed --skill chembl-query
ChEMBL Query provides quick access to curated bioactivity data for proteins, compounds, and disease indications from the ChEMBL database, helping researchers avoid manual data gathering and wrangling.
Init a Python environment and run example queries to retrieve ChEMBL bioactivity data.
High-intent search queries and answers about installing and using this skill.
To query ChEMBL bioactivity data for a protein target, use the target-based search interface to identify active compounds. It retrieves structured fields including molecule_name, standard_type, standard_value, and pchembl_value for the specified target.
Yes, you can retrieve all bioactivity profiles for a molecule across various targets. The molecule-based query returns all measured activities for the given compound, providing standard_type, standard_value, and target_name details.
You can find drugs studied for a specific disease indication by running an indication-based query. This search discovers relevant drugs and compounds studied for the specified disease, returning structured bioactivity data from the ChEMBL database.
Querying ChEMBL bioactivity data returns structured fields including molecule_name, target_name, standard_type, standard_value, and pchembl_value. These fields provide standardized measurements for analyzing compound-target interactions.
You need to initialize a Python environment to run queries and retrieve ChEMBL data. The skill uses a unified Python interface requiring deterministic input handling and standardized query parameters across its multiple endpoints.
The best way to avoid manual data gathering and wrangling of compound bioactivity data is using a unified query interface. It provides quick access to curated bioactivity data for proteins, compounds, and disease indications from the ChEMBL database.
LeonChaoXRetrieve filtered bioactive compound and target data from the ChEMBL database.
jiaxiaojunQAQQuery ChEMBL molecules, targets, and bioactivity data via the Python client.
mikeparcewskiProfile tabular datasets and validate them against JSON schemas to generate quality reports.
Hung-3008Query ChEMBL data for molecules, targets, and bioactivity results programmatically.
