Suggestion of specific chemical changes for meeting multiple objectives in Lead Optimization
Maximizing information extracted from experimental data
Systematic generation and exploration of hypotheses consistent with the data
Robust handling of missing data
KEM® is a tailored solution for mining multi-source data.
KEM® identifies particular combinations of features that prevent a compound from fulfilling multiple objectives. To reveal these conflicting contexts is crucial in guiding Lead Optimization.
KEM® can suggest specific modifications or identify "innocent bystanders" i.e. chemical groups that have only been tested in unfavorable contexts and that could be tested in an improved one.
