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Finding the Rules for Successful Drug Optimization

Optibrium
9 Dec 2013

Drug discovery is widely recognised as a process of multi-parameter optimisation, with the objective of finding compounds that meet a profile of many property criteria. These will depend on the ultimate therapeutic goal of the project and are typically chosen based on the subjective opinion of the project team. However, analysis of historical data can help to guide the determination of the most appropriate profile. In this article we describe computational approaches, described a described as rule induction, that enable an objective analysis of complex data to objectively identify multi-parameter rules that distinguish compounds likely to be successful for a project’s goal.

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ADME-ToxicologyADME-toxicology (ADME-Tox) studies are used in pharmacology and pharmacokinetics to assess the activity/toxicity of drugs <i>in vivo</i> or <i>in vitro</i>. Find bioassays for absorption, distribution, metabolism, and excretion of drug molecules including cytotoxicity, transporter/permeability, metabolism and activity assays as well as hepatocytes and cell lines for ADME. Find the best ADME-toxicology products in our peer-reviewed product directory: compare products, check customer reviews and receive pricing direct from manufacturers.Process ChemistryProcess chemistry is an important stage of drug development for scaling-up drug production or chemical synthesis reactions. It is useful for optimizing economical and efficient drug production. Process chemistry uses reactors and pump systems as well as reagents, standards and buffers.Data AnalysisData analysis hardware and software is available to make data processing straight-forward yet powerful. Data software can be used for math and stats, technical graphing and image analysis. In addition, software is available for specific data analysis of electrophoresis, densitometry, ELISA and DNA sequencing.Compound IdentificationLead OptimizationLead optimization is a phase in the drug discovery process. A lead is a compound that has demonstrated desired biological effects on a target. Optimization involves making chemical modifications to the structure in order to generate analogues of the original compound, which have higher potency and safety profiles.Drug DiscoveryDrug discovery is the process of identifying potential new medications, involving stages such as target identification, compound screening, and preclinical development. It relies on cutting-edge technologies like high-throughput screening, artificial intelligence, and molecular modeling to accelerate the identification of drug candidates. Drug discovery plays a pivotal role in developing new therapies for diseases ranging from cancer to rare genetic disorders. Browse our peer-reviewed product directory to find the latest drug discovery technologies, compare options, check customer feedback, and get pricing directly from manufacturers.

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