Clinical prediction models are easy to build and hard to build well. We develop statistical and machine-learning models on clinical cohorts or public datasets with the methodology that makes them credible: pre-specified outcomes, principled handling of missing data, sample-size assessment, internal validation by bootstrapping or nested cross-validation, calibration assessment and decision curve analysis. Reporting follows established prediction-model guidance, so the work stands up to methodological review.
Computational predictions prioritise hypotheses; they do not independently establish binding, biological activity, therapeutic efficacy, safety or clinical validity. Performance depends on input quality, target class, the structural evidence available and the applicability domain of the selected methods. Scores used for ranking are comparative devices and should not be read as measured quantities. All deliverables are for research use only and are not intended for diagnostic or therapeutic use.
These are the failure modes that produce confident-looking results which do not survive the next experiment. Each one is designed against rather than discovered afterwards.
Illustrative of the shape this work takes. Details are generalised, no client or target is identified, and scope and outcome vary with the system in question.
Note: ICDMO delivers computational (in silico) services. Results prioritise hypotheses for testing; they do not by themselves establish binding, biological activity, efficacy or safety. All deliverables are for research use only and are not intended for diagnostic or therapeutic use. Downstream experimental work is scoped separately and executed through qualified partners.
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