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ACD/Labs’ Spectrus is a platform for processing, analysis, interpretation, and management of analytical and chemical knowledge. Analytical data from multiple techniques and all major instrument vendors is standardised in a single environment to help scientists extract answers and make decisions faster, and with more confidence. Knowledge gained with every experiment can be saved for instant review and re-use. The human interpretation of data is uniquely preserved and captured, with chemical context, helping foster collaboration and supporting decision-making today and in the future Solutions may be automated

and tailored to meet the needs of different workflows and to improve productivity. Integration into existing cheminformatics infrastructure augments existing systems such as ELNs and LIMS by expanding their content, providing greater value to the organisation and its scientists.

Bika LIMS is an Open Source ISO 17025 compliant LIMS for chemistry and microbiology, to which the Bika Health branch adds CLIA conformant health care functionality for patients, doctors, referring institutes and clinical cases. It is also used in veterinary settings, and forms the basis for Bika applications in bioinformatics. Bika is web based and

multilingual. Its features include batching; sample partitioning and storage; prioritisation, pending task alerts; sampling, preservation,

Tom Wilkie presents a selection of currently available informatics products

Autoscribe Informatics’ Matrix Gemini LIMS can be configured as a Laboratory Execution System (LES) to provide an electronic framework to ensure rigorous conformance to standard operating procedures for every analysis – an essential requirement in highly regulated industries and QA/QC laboratories. This has the double benefit that no third-party LES software is required and all data is immediately available for use within the wider Matrix Gemini LIMS. The use of standard operating

procedures is intended to ensure that there is no variation in a given measurement procedure. In that way, any variations in test results are likely due to the samples themselves. In addition to enforcing standard operating procedures, the Matrix Gemini can also be configured as an LES to validate calculations and instrument interfaces. The comprehensive audit-trail facilities provided within Matrix Gemini mean that all activities relating to

samples, tests, resources, projects, suppliers, and customers are flagged with a revision number, time, date, and user ID so the execution of every step within a standard operating procedure can be traced. The Matrix Gemini

Configuration Tools are the key to its use as an LES. Autoscribe managing director, John Boother, explains: ‘Powerful but very easy to use configuration tools have always been at the heart of Matrix success.’

Certara’s Simcyp Simulator is a physiologically-based pharmacokinetic (PBPK) modelling and simulation platform, used by biopharma companies to determine first-in-human drug dose selection, predict drug-drug interactions, understand drug disposition in special populations, including paediatrics – and bridge to virtual populations. Simcyp Simulator is used to inform drug label language, with regulatory acceptance from the US FDA, the EMA, and the Japanese PMDA. v15 includes a PBPK model for antibody drug conjugates, a new class of targeted oncology therapies. Certara Strategic Consulting’s

Clinical Trial Outcome Databases include clinical trial outcomes, treatment, patient population and trial characteristics. Clients can access these flexible and customisable databases via either an Excel file or an online access platform.

retesting, verification, publishing and invalidation workflows; barcoding; attachments to results by email, PDF, Fax, CSV and SMS; live search engine; bulk imports; templates for

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sampling rounds, analysis profiles, worksheets and reference specifications; configurable calculations and adjustment factors; reference specifications and graphs; instrument calibration and maintenance; audit trails; invoicing; inventory; management reports and queries; document management; and robust Linux security. Bika can be interfaced with

instruments and downstream systems such as ERP, accounts, hospital and medical record systems.

Phoenix WinNonlin is

Certara’s pharmacokinetic/ pharmacodynamic (PK/PD) modelling and non-compartmental analysis (NCA) software. It allows researchers to visualise and analyse their PK and PK/PD data and collect all their results – including plots, tables and workflows – in a single project file. Phoenix Connect imports

and prepares data for analysis from several common sources; integrates common third-party tools into Phoenix workflows; provides a connection to the Phoenix Knowledgebase Server; and automates report generation. Users can import CDISC, SDTM or SEND domains as well as import data from Watson LIMS databases. It allows scientists to create workflows that include commonly used tools such as NONMEM, R, and SAS, directly within Phoenix. Phoenix Knowledgebase Server

(PKS) Online is Certara’s clinical data management solution. It is the only validated, hosted repository for PK/PD data analysis and is integrated with Phoenix WinNonlin and the other Phoenix products. our-software-services

Core Informatics’ The Platform for Science is an informatics system for big data. A 100-per-cent cloud-based Platform-as-a-Service (PaaS) means there is zero local installation and the system can be accessed via any web browser. The Electronic Lab Notebook

(ELN) by Core Informatics is a powerful, searchable, cloud-based repository for unstructured data, which can be securely accessed anywhere, any time on any device. It can be used to capture, analyse and share data, all in an FDA 21 CFR Part II validated environment. Data in the ELN can be searched across projects and accessed by multiple users according to security

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