ADMET PK/PD Predictv1.0.4

Pharmaceutical researchers can use the pan-ADMET prediction tool to rapidly assess absorption, distribution, metabolism, excretion, and toxicity properties of candidate compounds from SMILES strings, enabling early elimination of problematic leads and reducing late-stage failures.

Medicinal chemists can predict oral bioavailability at different doses using the OBA tool, helping prioritize compounds with favorable oral exposure for further development in oral drug programs.

The AOMP tool enables prediction of AOX-mediated metabolism and sites of metabolism for small molecules, aiding in metabolite identification and structural optimization to improve metabolic stability.

Researchers can predict cocrystal formation potential from SMILES strings using the CoCrystal tool, facilitating the design of cocrystals to improve solubility and bioavailability of poorly soluble drugs.

Computational chemists can batch-calculate molecular descriptors from files using the Molecular Descriptors tool, enabling large-scale cheminformatics analyses and QSAR modeling.

Charge users per API invocation for each prediction job (e.g., ADMET, pKa, bioavailability). This model scales well for sporadic or low-volume usage and provides predictable revenue per transaction.

Offer monthly or yearly subscription plans with set API call quotas (e.g., 10,000 calls/month). Overages charged per extra call. Suitable for continuous use by research groups.

Provide larger pharma or biotech companies with a dedicated instance or white-label integration, including SLAs, priority support, and custom model training. Revenue comes from annual licensing plus integration services.