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computational-chemistryresearch
chembl-database-bioactivity
Query ChEMBL bioactive molecules and drug discovery data using the Python SDK. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki, EC50), find inhibitors for targets, perform SAR studies, and access drug mechanism/indication data for medicinal chemistry research.
maintainer
jaechang-hits
अपडेट किया गया 4/9/2026
स्टार
93
फोर्क
12
quick start
Installation and usage
Query ChEMBL bioactive molecules and drug discovery data using the Python SDK. Search compounds by structure/properties, retrieve bioactivity data (IC50, Ki, EC50), find inhibitors for targets, perform SAR studies, and access drug mechanism/indication data for medicinal chemistry research.
इंस्टॉलेशन
$ install --globalskills.sh
उपयोग
इंस्टॉल करने के बाद, आप टर्मिनल में यह कमांड चलाकर इस स्किल का उपयोग कर सकते हैं:
skills use chembl-database-bioactivity