Are you interested in computer-designed molecules against PF (3D7 strain) growth inhibition?

OpenSourceMalaria / OSM_To_Do_List

Action Items in the Open Source Malaria Consortium

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Are you interested in computer-designed molecules against PF (3D7 strain) growth inhibition? #585

Closed UnixJunkie closed 1 year ago

UnixJunkie commented 3 years ago

The molecules are designed to be:

lead-like
easy to synthesize
have uniq scaffolds
non reactive

UnixJunkie commented 3 years ago

The QSAR model (scoring function for the designed molecules), is based on data released in this paper: "Thousands of chemical starting points for antimalarial lead identification" https://www.nature.com/articles/nature09107