Drug and nondrugs

Sadowski J and H Kubinyi 1998. A Scoring Scheme for Discriminating Between Drugs and Nondrug Journal of Medicinal Chemistry 41 3325-3329. 

Sadowski,., Kutanyi, H. A scoring scheme for discriminating between drugs and nondrugs. J. Med. Chem. 1998, 41, 3325-3329. 

Wagener, M., Van Geerestein, V. J. Potential drugs and nondrugs prediction and identification of important structural features. ]. Chem. Inf Comput. Sci. 2000, 40, 280-292. 

Recommend the most appropriate drug and nondrug measures to treat intraabdominal infections. 

Anzali, S., Barnickel, G., Cezanne, B., Krug, M., Filimonov, D., Poroikov, V., Discriminating between drugs and nondrugs by prediction of activity spectra for substances (PASS), J. Med. Chem. 2001, 44, 2432-2437. 

Treatment options for nausea and vomiting include drug and nondrug modalities. The treatment depends on associated medical conditions. 

Many papers have been published over the last few years covering computational approaches to distinguishing between drugs and nondrugs. These have been reviewed [43-48]. For us, three questions stand out in considering the utility of such tools. 

To be able to distinguish between drugs and nondrugs, we must accept that there is a fundamental difference between drugs and nondrugs. At one level, this is obviously true - we can easily distinguish between drugs and substances such as acetyl chloride. 

Another approach is to generate an artificial neural network [49, 50, 104, 105] or decision tree [106] to distinguish between lists of drugs and nondrugs . Neural... 

Anxiety disorders substantially diminish one s quality of life and ability to function ( 24). In the attempt to manage anxiety-related phenomena, as well as sleep disturbances, various treatments (both drug and nondrug) have been used over the course of history. Today, our understanding of the basis for such conditions is becoming more refined, allowing identification of differentiating qualities that will ultimately dictate more specific and effective remedies as discussed in Chapter 12. 

In the study of the large, homosexual group, several methods were used (1) informal observations of drug and nondrug activities of the group over a period of one year (2)... 

Sadowski, J. and Kubinyi, H. A Scoring Scheme for Discriminating between Drugs and Nondrugs. J. Med. Chem., 1998,41,3325-3329. 

Drugs and Nondrugs Prediction and Identification of Important Structural Features. 

Recursive partitioning, also known as the decision tree approach, is another powerful method to extract knowledge from a database. Wagener and Geerestein have explored the WDI and ACD databases to train a decision tree for the discrimination of drugs and nondrugs (28). Figure 6.4 shows a partial decision tree derived by the authors. One rule derived from this partial tree is, for example, if a compound possesses no alcohol and a tertiary aliphatic amine but no methylene linker between a heteroatom and a carbon atom, it is not... 

---