DrugFlowv1.0.2

A pharmaceutical company needs to screen millions of compounds against a target protein. Using the DrugFlow virtual screening flow, they can submit a job with a protein structure and compound library, receive results with binding scores, and iterate quickly.

Researchers want to predict how a set of drug candidates binds to a target. The docking flow accepts PDB files and ligand structures, performs site-driven docking, and returns docked poses, enabling lead optimization.

A CRO needs to assess absorption, distribution, metabolism, excretion, and toxicity of candidate compounds. The ADMET flow processes SMILES or datasets to predict properties, helping filter out toxic compounds early.

After initial docking, a computational chemist wants to rescore poses using multiple scoring functions. The rescoring flow takes PDB and SDF files, applies semi-empirical rescoring, and improves binding affinity predictions.

A university lab has printed chemical structures in documents and needs to convert them to machine-readable formats. The structure extract flow uses img2mol to process dataset images, extracting molecular structures for database entry.

Offer tiered subscription plans (e.g., Basic, Pro, Enterprise) for accessing DrugFlow APIs, with usage limits and priority support. Revenue comes from recurring monthly or annual fees.

Charge per job submission based on job type and resource consumption (e.g., tokens). Users buy credits upfront and consume them per job, suitable for sporadic or high-volume users.

License the DrugFlow skill package to other companies (e.g., pharma firms, CROs) to integrate into their own platforms. Revenue includes one-time licensing fees plus annual maintenance.