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dom. We prefer the specialized compact drug-lead ontologies for Web search, since
conventional ontologies are too large and not enough specific, to be efficient.
We have chosen a widely accepted path to new medical drugs – viz. a fragment
based approach. The proposed drug-lead ontologies are the vehicle to introduce frag-
ments into search. Linearized components are essential to express structure. The spe-
cific choice – to favor SMILES rather than InChi – is not essential and can be
changed, if necessary.
5.3 Future Work
To demonstrate the efficiency of the taken approach, one needs to make extensive
investigation of a variety of drug families.
This work adopted a drug-lead ontology with a dual role of knowledge repository
and source of search inputs. A research issue of interest is the number and average
sizes of the practical drug-lead ontologies.
5.4 Main Contribution
The main contribution of this work is the idea of random fragments of linearized
structures for Web search of new medical drugs.
Acknowledgements
This work is a continuation of a collaboration with Michal Pinto from the Pharma-
ceutical Engineering dept. at the JCE. This work also benefitted from discussions
with Gil Shalem.
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