Services
At ChemAI Solutions, we deliver AI-driven cheminformatics and drug discovery solutions for pharmaceutical companies, biotech startups, and research teams.
Our services support every stage of early drug discovery:
✔️ Molecular property prediction
✔️ ADMET and toxicity assessment
✔️ QSAR modeling and descriptor engineering
✔️ Virtual screening and docking support
We combine advanced machine learning, robust QSAR pipelines, and cheminformatics expertise to help you:
✔️ Identify high-potential compounds faster
✔️ Reduce experimental costs
✔️ Improve decision-making with data-driven insights
✔️ From hit identification to lead optimization, we provide scalable and accurate computational solutions tailored to your research needs.
ADMET PREDICTION MODELS
We develop advanced AI-based ADMET models covering absorption, distribution, metabolism, excretion, and toxicity endpoints.Our models help teams prioritize safe and drug-like compounds early in the discovery pipeline.
QSAR MODELING AND DESCRIPTOR ENGINEERING
We build high-accuracy QSAR models using molecular descriptors, fingerprints, and deep-learning architectures.Our QSAR pipelines support hit-to-lead optimization with explainable predictions.
VIRTUAL SCREENING AND DOCKING SUPPORT
Custom AI/ML Model Development
We offer AI-boosted virtual screening, docking automation, and scoring-function optimization to accelerate hit identification for small molecules.
We develop tailor-made AI solutions for biotech teams and researchers, including generative models, predictive workflows, and integrated cheminformatics platforms.