Agrochemicals drug discovery

Zernov VV, Balakin KV, Ivaschenko AA, Savchuk NP, Pletnev IV. Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions. J Chem Inf Comput Sci 2003 43(6) 2048-56. 

A number of valid reasons have prompted the research-oriented chemical industry to invest substantial resources into the effort to dramatically increase the evaluation efficiency of new chemical entities. The objective is to optimize rapidity and cost in the early phases of the process, leading to the identification of compounds with promising properties for further development into commercial products (typically pharmaceuticals or agrochemicals). In drug discovery, the wealth of new molecular targets with therapeutic potential is bound to increase, due to the efforts to understand the mechanisms of diseases and due to the data retrieved from genomics [1, 2],... 

The technologies that have thus transformed drug discovery have also been applied to agriculture in such a way that new transgenic plant varieties were produced with characteristics that could not be easily obtained through cross-pollination. Monsanto, which had relied until the end of the 1980s on agrochemicals... 

Figure 1.1. Drug discovery process to new or improved drug candidates in the R D laboratories of pharmaceutical and agrochemical companies.

Inf. Comput. Sci., 43, 2048-2056 (2003). Drug Discovery Using Support Vector Machines. The Case Studies of Drug-likeness, Agrochemical-likeness, and Enzyme Inhibition Predictions. 

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