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Categories
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Pharmaceutical Intermediates
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Active Pharmaceutical Ingredients
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Food Additives
- Industrial Coatings
- Agrochemicals
- Dyes and Pigments
- Surfactant
- Flavors and Fragrances
- Chemical Reagents
- Catalyst and Auxiliary
- Natural Products
- Inorganic Chemistry
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Organic Chemistry
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Biochemical Engineering
- Analytical Chemistry
- Cosmetic Ingredient
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Pharmaceutical Intermediates
Promotion
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Trade Service
This chapter provides a brief overview of chemoinformatics and its applications to chemical library design. It is meant to be a quick starter and to serve as an invitation to readers for more in-depth exploration of the field. The topics covered in this chapter are chemical representation, chemical data and data mining, molecular descriptors, chemical space and dimension reduction, quantitative structure–activity relationship, similarity, diversity, and multiobjective optimization.