CBRA software (v0.75)

CBRA software evaluates the in vivo activity of chemicals using the chemical-biological read across approach. This software takes computed structural descriptors and experimentally measured in vitro bioactivity profiles as input.

HTS Navigator software (v0.3)

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PKS Enumerator Software (v0.1)

PKS Enumerator is a cheminformatics tool to generate virtual chemical libraries of macrocycles or macrolides with multiple user-defined constraints (e.g., types and numbers of structural motifs to be included in the macrocycle, ring size, maximum number of compounds generated). 

PKS Enumerator is a cheminformatics tool to generate virtual chemical libraries of macrocycles or macrolides with multiple user-defined constraints (e.g., types and numbers of structural motifs to be included in the macrocycle, ring size, maximum number of compounds generated). 

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