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computational-chemistryresearch

medchem

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.

davila7
maintainer
davila7
Обновлено 20.01.2026
Звёзды
17577
Форки
1576
quick start

Installation and usage

Medicinal chemistry filters. Apply drug-likeness rules (Lipinski, Veber), PAINS filters, structural alerts, complexity metrics, for compound prioritization and library filtering.

Установка
$ install --globalskills.sh
Использование

После установки вы можете использовать этот skill, выполнив следующую команду в терминале:

skills use medchem