ProteinIQ for virtual screening

Screen millions, discover one

Filter compound libraries at scale with QEPPI, EvoEF2, and PocketFlow to identify promising drug candidates efficiently.

QEPPI analysis

Quantitative estimate of protein-protein interaction inhibition using machine learning to identify druggable binding sites and predict compound efficacy

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Lipinski's rule of 5

Pre-filter large compound libraries for drug-like properties using molecular weight, lipophilicity, and hydrogen bonding criteria for screening workflows

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Molecular descriptors

Calculate comprehensive molecular properties including topological, electronic, and geometric descriptors for virtual screening and QSAR modeling workflows

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