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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
์
๋ฐ์ดํธ๋จ 4/9/2026
์คํ
93
ํฌํฌ
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.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use chembl-database-bioactivity