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UnknownOpen Source Code Contributions to Global Health: The Case of Antimalarial Drug Discovery.
Not available
S-EPMC11403727 | biostudies-literature
ModelsTuron2023 - H3D virtual screening models
The H3D virtual screening cascade contains models for Mycobacterium tuberculosis and Plasmodium falciparum IC50 predictions, as well as ADME, cytotoxicity, and solubility assays. Model Type: Predictive machine learning model. Model Relevance: This panel of models provides predictions for the H3D vi...
2024-05-13 | MODEL2403270001 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
UnknownFirst fully-automated AI/ML virtual screening cascade implemented at a drug discovery centre in Africa.
Not available
S-EPMC10504240 | biostudies-literature
UnknownEndothelial transcriptomic analysis identifies biomarkers of severe and cerebral malaria.
Not available
S-EPMC10721316 | biostudies-literature
UnknownArtificial intelligence coupled to pharmacometrics modelling to tailor malaria and tuberculosis treatment in Africa.
Not available
S-EPMC12537934 | biostudies-literature
ModelsSun2019 - Predictive models of aqueous solubility of organic compounds.
Kinetic aqueous solubility (μg/mL) was experimentally determined using the same SOP in over 200 NCATS drug discovery projects. A final dataset of 11780 non-redundant molecules and their associated solubility was used to train a SVM classifier. Model Type: Predictive machine learning model. Model Re...
2024-04-22 | MODEL2404220003 | BioModels
Machine Learning Model Ersilia 
ModelsRong2020 - Grover-Lipo: Octanol/water distribution coefficient
This model has been trained using the GROVER embedding with the Lipophilicity Molecule Net dataset. Model Type: Molecular properties prediction ML model. Model Relevance: Predicts octanol/water distribution coefficient. Model Encoded by: Amna Ali (Ersilia) Metadata Submitted in BioModels by: Zaina...
2024-06-04 | MODEL2406040004 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ModelsRong2020 - Grover-Esol: Prediction of water solubility (log solubility in mols per litre) for common organic small molecules
This model has been trained using the GROVER embedding and the Molecule Net ESOL dataset. . Model Type: Molecular properties prediction ML model. Model Relevance: Predicts Log Solubility. Model Encoded by: Amna Ali (Ersilia) Metadata Submitted in BioModels by: Zainab Ashimiyu-Abdusalam Implementa...
2024-06-04 | MODEL2406040005 | BioModels
Machine Learning Model FAIR-AIML Ersilia 
ModelsStokes2020 - Antibiotics discovery using deep learning approach.
Based on a simple E.coli growth inhibition assay, the authors trained a model capable of identifying antibiotic potential in compounds structurally divergent from conventional antibiotic drugs. One of the predicted active molecules, Halicin (SU3327), was experimentally validated in vitro and in vivo...
2024-04-22 | MODEL2404080001 | BioModels
Machine Learning Model Ersilia 
ModelsYe2021 - Identification of active molecules against Mycobacterium tuberculosis with ML
Identification of active molecules against Mycobacterium tuberculosis using an ensemble of data from ChEMBL25 (Target IDs 360, 2111188 and 2366634). The final model is a stacking model integrating four algorithms, including support vector machine, random forest, extreme gradient boosting and deep ne...
2024-04-08 | MODEL2404080003 | BioModels
Machine Learning Model Ersilia 
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