Optibrium introduces Augmented Chemistry™ services to guide successful drug discovery

Incorporation of AI technologies highlights the most accurate compound predictions to enable effective project decision-making

10 Oct 2019
Arran Tabary-Davies
Microbiologist

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Optibrium™, a developer of software for drug discovery, has announced the introduction of its Augmented Chemistry™ services, which provide collaborators with novel artificial intelligence technologies to supplement their skills and experience, enabling them to make more effective decisions and advance their drug discovery projects.

In discovery projects, it is important to base decisions on reliable data to avoid wasted effort pursuing incorrectly selected compounds or missing opportunities by inappropriately discarding potentially valuable compounds. Augmented Chemistry™ services are built on a unique deep learning capability for data imputation, Alchemite™, which has been developed in collaboration with Intellegens Limited. Alchemite™ has been demonstrated to outperform traditional predictive models, both in benchmarking studies [1] and in partnerships with global pharma and biotech research organisations. Unlike conventional machine learning approaches, Alchemite™ learns simultaneously across all experimental endpoints in a project or corporate database, even based on limited data. The resulting model can automatically highlight the most confident, and therefore accurate, predictions on which to base experimental decisions, including the identification of new or previously overlooked high-quality compounds.

Dr Matthew Segall, Optibrium’s CEO, said: “Optibrium has an extensive track record of successfully introducing and delivering cutting-edge technologies to drug discovery, and our intimate knowledge of the unique challenges of drug discovery and the underlying data enable us to go beyond the hype and deliver results that make a difference. After successfully demonstrating its capabilities in collaboration with our partners, we’re excited to now be able to bring Augmented Chemistry™ services to our global customer base.”

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Combinatorial ChemistryCombinatorial chemistry, also known as combichem, is a technique used in drug discovery to create libraries of structurally related compounds. A library is generated by synthesis with a chemical reactor system or by computer-based modeling of compound combinations. When undertaking combinatorial chemistry consider reagents, buffers, resins and standards.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.Chem / BioinformaticsCheminformatics and bioinformatics are computational techniques used in chemistry and biology, respectively, for data acquisition, processing and storage. Cheminformatics focuses on compound information, whereas bioinformatics is mainly applied to analysis and modeling of genomics, genetic and sequencing information. Hardware and software is available for data acquisition, analysis, management and storage.Molecular Recognition SoftwareMolecular recognition software is widely used to analyze DNA, RNA, proteins and chemicals. The software can be useful for graphical viewing, comparative analyses, high-throughput screening, genomics, proteomics and phylogenetics. Molecular recognition software uses bioinformatics tools and analyses such as BLAST searches and generates structural predictions, 3D structures and sequencing information.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.Biopharmaceutical AdvancesBiopharmaceutical advances follow the development of pharmaceuticals derived from biotechnology, also known as biotechnology medicines. Biopharmaceuticals may be produced from cell lines, plants, or microbial cells. Important considerations of biopharmaceutical use include application, cost, production process and purification.Clinical ChemistryBiochemistry (or clinical chemistry) involves the analysis of bodily fluids using chemical tests. Techniques used include HPLC, chromatography, spectroscopy, mass spectrometry, immunochemical, electrophoresis, turbidometric / spectrophotometric assay, MRI and ISE analysis. Tests are often carried out on plasma or serum but urine (urinalysis) and fecal specimens are also processed.Discovery SoftwareComputational techniques used in both the chemistry and biology aspects of drug discovery, for data acquisition, processing and storage. Software is used for analysis of pathways, target identification, genomics, proteomics, modelling, lead identification, compound analysis and drug modelling among many others. Development SoftwareComputational techniques used in both the chemistry and biology aspects of drug development, for data acquisition, data analysis, processing and storage. Software is used for analysis of ADME results, toxicology, clinical trials and regulatory processes. Software PlatformsSoftware platforms are useful for various stages of laboratory experiments from data collection to data storage and processing. For instance lab software is available for system control, data management, data analysis and qualification / validation.Data AnalysisThe analysis of data is the process of transforming, modeling and evaluating data to discover useful information from experimental results. 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.Compound ScreeningCompound screening is a method used to discover specific compounds that could be promising candidates for pharmaceutical use. This potential is identified when compounds interact with the target protein during screening and could therefore be carried forward in the drug development process.