Q-Dock
Models the α4β7 binding environment and evaluates target–candidate interactions.
- Binding-site analysis
- Affinity and binding-pose prediction
QUEST™ / Quantum–AI Drug Discovery
QUEST™ integrates molecular modelling, experimental evidence, artificial intelligence and quantum-derived representations to support better decisions from hit discovery through preclinical prediction.
01 / WHERE QUEST™ INTERVENES
QUEST™ is QIC’s integrated Quantum–AI drug-discovery solution. Its three specialized modules support the development lifecycle from identifying experimentally credible hits to optimizing candidates and assessing preclinical ADMET and PK risk.
Clinical development is shown as the downstream stage, not a current QUEST™ module.
Conventional AI-based virtual screening assigns predictive scores from learned data patterns. A high score, however, does not necessarily indicate actual binding affinity, selectivity or a valid binding pose, and false-positive candidates may fail in experimental validation.
Strong binding affinity alone does not make a viable drug candidate. Affinity, selectivity, permeability, solubility, metabolic stability and toxicity must be optimized together, even though improving one property may compromise another.
ADMET and pharmacokinetic issues are often identified only after substantial time and cost have been committed to preclinical studies, potentially leading to candidate termination and development delays.
Limits of data-only AI. Sparse or biased datasets, unfamiliar chemical space and limited representation of molecular physics can reduce prediction reliability across the lifecycle.
02 / QUEST™ · MODULE 01
HIT DISCOVERYQ-Dock models both the target binding environment and candidate ligands, then compares their three-dimensional and electronic interaction patterns to predict binding affinity and the most plausible binding pose.
Build learning representations from molecular and interaction data
Train the pattern-recognition and scoring model used in candidate matching
Define the binding pocket and its spatial and electronic interaction environment.
03 / QUEST™ · MODULE 02
SCREENING & LEAD OPTIMIZATIONSupernatural AI identifies the molecular fragments that drive activity and uses them to iteratively design candidates with improved affinity, selectivity and drug-like properties.
Integrate fragment libraries, assay results, virtual fragmentation and DEL screening data to identify credible activity signals.
Each designed candidate is reassessed and refined until the target balance of activity and drug-like properties is achieved.
04 / QUEST™ · MODULE 03
PRECLINICAL PREDICTIONVirtual CRO translates molecular structure into ADMET and PK predictions, PK/PBPK analysis and concentration–time profiles, enabling earlier comparison and optimization of preclinical candidates.
Molecular structure or SMILES
ORAL PEPTIDE DRUG DISCOVERY
QIC applies QUEST™ to discover and optimize its proprietary α4β7-targeted peptide candidate, including binding affinity, target selectivity, drug-like properties, PK/PD and toxicity prediction. D&D Pharmatech applies and optimizes its ORALINK™ platform and conducts experimental efficacy evaluation to advance the asset toward an orally deliverable drug candidate.
Models the α4β7 binding environment and evaluates target–candidate interactions.
Designs and optimizes peptide candidates for activity, selectivity and developability.
Predicts PK/PD and toxicity to identify liabilities and guide candidate refinement.
06 / QUEST™
Explore QIC’s proprietary pipeline or discuss a discovery, optimization or preclinical prediction program.