1
Start with a clearly defined biomedical research question for AI medicinal chemistry agent for assay quality control, SAR analysis, analog design, ADMET prediction, and drug-discovery decisions. Identify the dataset, cohort, molecule, sequence, image modality, or experimental endpoint that will be used to judge whether the output is useful.
2
Use Indy to generate a first set of candidates, analyses, structures, literature findings, segmentations, or experimental suggestions. Inspect the underlying evidence and intermediate outputs instead of accepting only the final result. Where possible, compare against a trusted baseline or an independent method.
3
Validate the result using the standards of the domain: experimental measurement for chemistry or biology, held-out benchmarks for predictive models, expert review for literature synthesis, or quantitative ground truth for imaging. Record failed predictions and negative results as well as successful examples.
4
Before scaling the workflow, confirm licensing and data-use terms, model and dataset versions, reproducibility, privacy or biosafety requirements, and the limits of the training distribution. Re-check the primary documentation when models or hosted services change.