Consensus approach

The question of selecting the most appropriate method for any one compound has been addressed recently by Kiihne et al. [52]. Initially several different methods are used to predict the solubility of a reference library of compounds. A subset of compounds from this reference library that are most similar to the compound of interest is identified and the method with the smallest sum of errors in the predicted solubility for this subset is chosen to predict the solubility. Dearden [3] considered whether a consensus approach could improve prediction over any one method. While the predictions from certain pairs of methods could be combined with improved results, some combinations led to poorer performance than either method alone. Chen et al. [53] were able to achieve improved correlation with their QSPR model using different QSPRs for different classes of compounds. Thus, while each QSPR used the same set of eight descriptors, the contribution of each descriptor changed according to the compound type. Each group had 82-101 compounds and achieved an of 0.86-0.92. 

Bakris GL, Williams M, Sworkin L, et al. for the National Kidney Foundation Hypertension and Diabetes Executive Committees Working Group. Preserving renal function in adults with hypertension and diabetes a consensus approach. Am J Kidney Dis... 

A final obstacle to perseverance lies in the way companies make go/no-go decisions. In many instances, these are consensus-based group decisions, and the consensus approach generally leads to low risk/fast success projects, because the immediately practical ones without problems are favored as no regret moves. More far-sighted projects or those with higher uncertainties always seem to find a majority vote against them. 

Fletcher CD, Berman JJ, Corless C, et al Diagnosis of gastrointestinal stromal tumors A consensus approach. Hum. Pathol. 2003 33 459-465. 

Such a consensus approach is reminiscent of what some computational chemists were doing in the the 1970s and 1980s when they were treating each molecule by not one, but several available semiempirical and ab initio molecular orbital methods, each of which gave different—and less than perfect—predictions of molecular properties. 

The key residues that are important for the stability of protein stmctures have been delineated from a consensus approach (20). This method includes the concept of long-range interactions, hydrophobicity, and conservation of amino acid residues in homologous sequences. It shows good agreement with experimental thermodynamic data of globular proteins, and the consensus method could be used to identify potential candidates for protein engineering. 

In step 6 relevant (Q)SARs are selected and (Q)SAR predictions are generated for the query compounds, together with the reporting formats for the models and the predictions. The reliability of the predictions also has to be established. When more than one relevant and reliable prediction is available a judgment of the relative reliability of the different predictions might be necessary if the predictions do not lead to the same conclusions. This might lead the user to select a representative value or to weight the available data in some way, or possibly use a consensus approach. 

Bray, J. E., et ah, The CATH Dictionary of Homologous Superfamilies (DHS) a consensus approach for identifying distant structural homologues. Protein Eng, 2000. 13(3) p. 153-65. 

Jones, S., et al., Domain assignment for protein structures using a consensus approach characterization and analysis. Protein Sci, 1998. 7(2) p. 233-42. 

Stein CA. How to design an antisense oligonucleotide experiment a consensus approach. Antisense Nucleic Acid Drug Dev 1 998 8 129-132. 

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