MolPredictX

MolPredictX predicts molecular bioactivity and provides quantitative probability estimates to support identification and prioritization of therapeutic candidates across multiple pathogens and disease-associated enzymes.

Key Features:

• Qualitative Predictions: Provides 27 distinct qualitative predictions classifying molecules as active or inactive against a range of biological targets.
• Quantitative Probabilities: Outputs probability scores for predicted bioactivity alongside qualitative classifications.
• Diverse Biological Targets: Covers Trypanosoma, Leishmania, Dengue, SARS-CoV, Hepatitis C, Candida albicans, Salmonella enterica, Escherichia coli, and enzymes associated with Alzheimer's disease.

Scientific Applications:

• Drug discovery and development: Predicts biological activity to aid identification and prioritization of compounds for further experimental validation.

Methodology:

QSAR models developed and validated using data from indexed scientific articles.