QikProp
Schrödinger
Predicts PK and physicochemical properties based on full 3D molecular structure. Part of the Schrödinger Drug Discovery Platform.
Best For
ADME property prediction within Schrödinger virtual screening campaigns
License
Commercial
Strengths
- +3D structure-based
- +Integrated with Maestro/Glide/FEP+
Limitations
- −Requires 3D conformer input
- −Expensive
- −Classical ML
R&D Pipeline Coverage
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High-precision grid-based docking with hierarchical filtering. Glide WS (2025) explicitly models water molecules during docking.
More in ADMET Prediction
ADMET-AI
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ADMETlab 3.0
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Comprehensive ADMET prediction platform covering 119 endpoints with uncertainty estimates. Trained on >400,000 curated entries.
SwissADME
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Predicts pharmacokinetics, drug-likeness, and medicinal chemistry friendliness. Known for the BOILED-Egg visualization and Bioavailability Radar.
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