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sk Skill · dralkh

medchem

Medicinal chemistry filters for compound triage. Apply drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and the medchem query language for library filtering.

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pythonbashTypeScript
Host repository
dralkh/iktinah
Version
1.1
Allowed tools
Read Write Edit Bash
Licence
Apache-2.0 license
Host stars
78
Host language
TypeScript