van-Heerden2023 - Chemical Features Identification for Stage-Specific Antimalarial Compounds

Prediction of the antimalarial potential of small molecules using data from various chemical libraries that were screened against the asexual and sexual (gametocyte) stages of the parasite. Several compounds’ molecular fingerprints were used to train machine learning models to recognize stage-specific active and inactive compounds. Model Type: Predictive machine learning model. Model Relevance: Probability of inhibition of the malaria parasite growth. Model Encoded by: Gemma Turon (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementation of this model code by Ersilia is available here: https://github.com/ersilia-os/eos80ch