Generated by All in One SEO v4.9.8, this is an llms.txt file, used by LLMs to index the site. # Workflow Informatics Corp. Architecting and automating research informatics workflows ## Sitemaps - [XML Sitemap](https://workflowinformatics.com/sitemap.xml): Contains all public & indexable URLs for this website. ## Posts - [The Request Black Hole: Why Scientific Work Falls Through the Cracks](https://workflowinformatics.com/request-tracking-without-a-lims/) - Requests vanish into email, Slack, and spreadsheets. You may not need a full LIMS to fix it — just a purpose-fit request-and-tracking layer. Here's why. - [Machine Learning in Neuroplasticity](https://workflowinformatics.com/machine-learning-in-neuroplasticity/) - Accelerating Neuropsychiatric Drug Discovery with ML Machine learning is unlocking new frontiers in neuropsychiatric research. In collaboration with Delix Therapeutics, Workflow Informatics applied machine learning to model neuroplasticity—predicting how small molecules influence neurite growth, a hallmark of compounds with antidepressant potential. By integrating curated chemical libraries, phenotypic screening, and XGBoost models trained on high-content image - [The CRO Data Tax: What External Research Is Really Costing You](https://workflowinformatics.com/cro-data-tax-external-research-costs/) - Workflow Informatics Newsletter Every drug discovery organization knows the moment. A CRO delivers a data package — assay results, analytical spectra, ELN experiments — and someone on your team has to deal with it. The compounds are named differently than your registration system expects. The assay conditions use terminology that doesn't match your dictionaries. The - [Your 'Best of Breed' Strategy Is Strangling Your Research Workflow](https://workflowinformatics.com/wfi-newsletter-february-2026/) - Workflow Informatics Newsletter You didn't accumulate eight different research informatics platforms because of bad planning. You did it because no single platform does everything well. Your choices made perfect tactical sense at the time: A Familiar Pattern Platform 1 handles compound registration brilliantly, but its Bio ELN falls short Platform 2 excels at chemistry ELN, - [Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool](https://workflowinformatics.com/heterocyclic-regioisomer-enumeration-hrems-a-cheminformatics-design-tool/) - Heterocyclic Regioisomer Enumeration (HREMS): A Cheminformatics Design Tool We report the development and implementation of a cheminformatics tool which aids in the design of compounds during exploratory chemistry and lead optimization. The Heterocyclic Regioisomer Enumeration and MDDR Search (HREMS) tool allows medicinal chemists to build greater structural diversity into their synthetic planning by enabling a - [Chemical Compound/Sample Management: Outsourcing Considerations](https://workflowinformatics.com/chemical-compound-sample-management-outsourcing-considerations/) - Tracking inventory is often perceived as a mundane task. Images of barcoded boxes on shelves are conjured in our minds. So, how difficult can it be to track widgets electronically? The answer is that it can be immensely difficult. When the identity of the widgets are chemical structures, the complexity increases markedly. If these samples - [Pondering Enhanced Stereochemistry](https://workflowinformatics.com/pondering-enhanced-stereochemistry/) - The release of V3000 representation of enhanced stereochemistry by Biovia was a great step forward, but it does introduce another level of complexity. Here, I’m pondering the usefulness of even more specificity…From a chemist’s point of view, the good stuff is:I can represent a compound that I’m sure is a pure enantiomer, but not sure which - [Workflow Informatics becomes an official service partner for Collaborative Drug Discovery](https://workflowinformatics.com/oct-11-2019-workflow-informatics-becomes-an-official-service-partner-for-collaborative-drug-discovery/) - [Toward a CRO Management Solution](https://workflowinformatics.com/toward-a-cro-management-solution/) - As a research informatics consultant, I have the pleasure of observing trends across both small and large customers. One undeniable trend is the outsourcing synthetic chemistry and biological assays. In many cases, there are multiple outsource partners providing similar services. Not surprisingly, the transfer and management of scientific data to and from the CROs can - [Workflow Informatics becomes a sales and services partner of Biovia](https://workflowinformatics.com/march-13-2020-workflow-informatics-becomes-a-sales-and-services-partner-of-biovia/) - [Workflow Informatics partners with Scigilian Software, Inc.](https://workflowinformatics.com/january-20-2021-workflow-informatics-partners-with-scigilian-software-inc/) - [PARP1: Structural insights and pharmacological targets for inhibition](https://workflowinformatics.com/parp1-structural-insights-and-pharmacological-targets-for-inhibition/) - PARP1: Structural insights and pharmacological targets for inhibition Poly(ADP-ribose) polymerase 1 (PARP1, also known as ADPRT1) is a multifunctional human ADP-ribosyltransferase. It plays a role in multiple DNA repair pathways, including the base excision repair (BER), non-homologous end joining (NHEJ), homologous recombination (HR), and Okazaki-fragment processing pathways. In response to DNA strand breaks, PARP1 covalently - [Workflow Informatics partners with Xavo Software](https://workflowinformatics.com/may-12-2022-workflow-informatics-partners-with-xavo-software/) - [MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction](https://workflowinformatics.com/megasyn-integrating-generative-molecular-design-automated-analog-designer-and-synthetic-viability-prediction/) - MegaSyn: Integrating Generative Molecular Design, Automated Analog Designer, and Synthetic Viability Prediction Generative machine learning models have become widely adopted in drug discovery and other fields to produce new molecules and explore molecular space, with the goal of discovering novel compounds with optimized properties. These generative models are frequently combined with transfer learning or scoring - [BioChemUDM: a unified data model for compounds and assays](https://workflowinformatics.com/biochemudm-a-unified-data-model-for-compounds-and-assays/) - BioChemUDM: a unified data model for compounds and assays We present a simple, biochemistry data model (BioChemUDM) to represent compounds and assays for the purpose of capturing, reporting, and sharing data, both biological and chemical. We describe an approach to register a compound based solely on a stereo-enhanced sketch, thereby replacing the need for additional - [Workflow Informatics Corp Announces Reseller Agreement with SuperCowPowers, LLC](https://workflowinformatics.com/workflow-informatics-corp-announces-reseller-agreement-with-supercowpowers-llc/) - Wake Forest, NC – February 11, 2025 – Workflow Informatics, a leading provider of advanced scientific research informatics services and software, is pleased to announce a new reseller agreement with SuperCowPowers, LLC (SCP), specializing in AWS® machine learning software. This strategic partnership will allow Workflow to resell the SCP Workbench. The Workbench software simplifies AWS® development - [White Paper - From Data to Drug Discovery](https://workflowinformatics.com/an-optimized-approach-to-research-informatics-unlocking-the-power-of-machine-learning-and-generative-ai-in-drug-discovery-applications/) - From Data to Drug Discovery Machine learning (ML) has become a cornerstone of the drug discovery process, offering new tools that enhance the effectiveness of pharmaceutical research. Today, many companies are taking these developments a step further using the transformative power of generative AI (Gen AI) to search for molecules under specific constraints, such as - [Workflow Informatics 10-year retrospective (Part 1 of 3)](https://workflowinformatics.com/10-year-retrospective/) - This year Workflow Informatics Corp. celebrates 10 years in business. From humble beginnings as a one-man shop doing Pipeline Pilot consulting, Workflow Informatics has grown steadily, increasing in size every year. As we grew, we expanded our capabilities, building expertise in laboratory informatics, robotics, molecular modeling, cloud computing, DNA encoded libraries, bioinformatics, and most recently ## Pages - [Home](https://workflowinformatics.com/) - We automate research informatics workflows—cheminformatics, lab informatics, ML, and AI—with software, integration, and data solutions for faster drug discovery - [Contact Our Informatics Team](https://workflowinformatics.com/contact-us/) - Connect with Workflow Informatics to discuss cheminformatics, lab informatics, machine learning, and AI solutions tailored to your research needs. - [About Workflow Informatics: Research Informatics Experts](https://workflowinformatics.com/about-us/) - Learn how Workflow Informatics helps life sciences teams streamline research, integrate data, and accelerate drug discovery workflows. - [Publications](https://workflowinformatics.com/publications/) - Browse publications, white papers, and case studies showcasing Workflow Informatics’ solutions in scientific informatics. - [Workflow Informatics Blog](https://workflowinformatics.com/blog/) - Explore articles on scientific workflows, data integration, AI, and informatics trends from the experts at Workflow Informatics. - [Tools and Services for CDD Vault](https://workflowinformatics.com/tools-and-services-for-cdd-vault/) - Extend your CDD Vault workflows with integrations, data loaders, visualization tools, and custom services from Workflow Informatics. - [Events](https://workflowinformatics.com/events-2/) - Find upcoming events where Workflow Informatics is presenting—conferences, workshops, and industry gatherings worldwide. - [WRT](https://workflowinformatics.com/wrt/) - Manage requests, samples, and research workflows with WRT. A lightweight LIMS alternative built to reduce errors and improve efficiency. - [SCP Workbench](https://workflowinformatics.com/scp-workbench/) - Deploy scalable machine learning pipelines with SCP Workbench on AWS. Workflow Informatics helps accelerate chemical and biological data analysis. - [ML Starter Kit](https://workflowinformatics.com/ml-starter-kit/) - Kickstart machine learning in your lab with the Workflow Informatics Starter Kit—fast setup, seamless integrations, and expert support. - [HTSC](https://workflowinformatics.com/htsc/) - Automate HS code classification with HTSC from Workflow Informatics—accurate, compliant, and faster than manual processes. - [Pipeline Pilot and KNIME Services](https://workflowinformatics.com/pipeline-pilot-and-knime-services/) - Optimize your workflows with expert support for Pipeline Pilot and KNIME. Integration, customization, and training for drug discovery teams. - [Platform and Data Integration and Migration Services](https://workflowinformatics.com/platform-and-data-integration-and-migration-services/) - Modernize your informatics stack. We migrate legacy data, integrate ELNs, LIMS, and visualization tools, and build unified data platforms. - [CROW](https://workflowinformatics.com/crow/) - Streamline CRO data with CROW (CRO Wizard) from Workflow Informatics—automated normalization, validation, and ELN integration for faster research. - [Products & Services](https://workflowinformatics.com/products-services/) - Discover consulting, custom apps, integrations, full-stack development, and tools from Workflow Informatics to optimize research workflows. - [Home - Copy](https://workflowinformatics.com/home-copy/) - Services Contact Us Architecting and automating research informatics workflows We optimize research informatics workflows through software development and configuration, facilitating drug discovery. We achieve this through standardized digital automation, application integration, and custom data management solutions. Flexible Consulting Model We provide consulting services at a varying levels of expertise and commitment Custom Informatics Software Custom - [Partners](https://workflowinformatics.com/partners/) - Meet our technology and service partners. Workflow Informatics works with leading vendors to deliver integrated informatics solutions. - [News](https://workflowinformatics.com/news2/) - Read the latest company news from Workflow Informatics, including announcements, product launches, partnerships, and industry insights. - [Discovery Research Informatics Starter Kit](https://workflowinformatics.com/discovery-research-informatics-starter-kit/) - Build informatics infrastructure quickly with D-RISK. Designed for early-stage biotechs needing scalable, cost-effective solutions. - [Resources](https://workflowinformatics.com/resources/) - Access blog posts, case studies, news, and publications from Workflow Informatics—your hub for research informatics insights. - [Press Releases](https://workflowinformatics.com/press-releases/) - Workflow Informatics Corp Announces Reseller Agreement with SuperCowPowers, LLC Wake Forest, NC – February 11, 2025 – Workflow Informatics, a leading provider of advanced scientific research informatics services and software, is pleased to announce a new reseller agreement with SuperCowPowers, LLC (SCP), specializing in AWS® machine learning software. This strategic partnership will allow Workflow to - [Events old](https://workflowinformatics.com/events/) - Table of Contents Bio-IT World Conference & Expo - Apr 2-4, 2025 Bio-IT World Conference & Expo - Apr 2-4, 2025 The Bio-IT World Conference & Expo 2025 showcased innovations at the intersection of biology, data science, and technology. This industry-leading event gathered researchers, IT professionals, and solution providers to explore breakthroughs in AI, bioinformatics, - [Products and Services](https://workflowinformatics.com/products-and-services/) - Software Solutions Workflow Request and Tracking Tool Workflow Informatics is excited to introduce Workflow Request and Tracking (TM). The first release of this innovative new product is geared toward sample request and tracking workflows. WRT includes a sample inventory solution, but can also be integrated with an existing sample inventory. Request and tracking information are - [News](https://workflowinformatics.com/news/) - Events Mar 10 – Mar 11, 2025: Lab of the Future USAFeb 26 – Feb 28, 2025: SapioCon 2025May 16 – May 18, 2024: Bio-IT World Conference & ExpoFeb 27-Mar 2, 2024: SLAS International Conference and ExhibitionFeb 10, 2023: Drug Discovery Workflows SymposiumMay 12, 2022: Workflow Informatics partners with Xavo SoftwareJanuary 20, 2021: Workflow Informatics partners with Scigilian Software, Inc.March 13, 2020: Workflow - [Careers](https://workflowinformatics.com/careers/) - Interested in Joining Our Team? At Workflow Informatics, we’re always on the lookout for talented individuals passionate about transforming the world of drug discovery and research informatics. If you’re eager to contribute to a team that’s at the forefront of cheminformatics and computational chemistry, we’d love to hear from you. Current Job Openings Currently, we - [Social](https://workflowinformatics.com/social/) - [Styles](https://workflowinformatics.com/406a7-styles/) - Overline / Subheading This display title I’m currently working on some personal projects as well as doing some contract work. This is Heading 1 My name is Jane Austin, and I live in the UK. I’ve been a professional illustrator for over 20 years. My art is a mix of 2D and 3D, and I ## My Templates - [Elementor Loop Item #3146](https://workflowinformatics.com/?elementor_library=elementor-loop-item-2) - Elementor Loop Item #3146 January 21, 2026 - [Elementor Loop Item #3138](https://workflowinformatics.com/?elementor_library=elementor-loop-item) - [overview](https://workflowinformatics.com/?elementor_library=overview) - Flexible Consulting Model We provide consulting services at a varying levels of expertise and commitment Custom Informatics Software Custom Informatics Software development for your needs Deep Scientific Expertise Our consultants have rich experience in both laboratory and computational methods Cloud Computing As AWS Partners, we can help you architect and organize your scientific data - [Sidebar](https://workflowinformatics.com/?elementor_library=sidebar) - Chris Lowden CEO of Workflow Informatics Github Linkedin Youtube Recent Posts The Request Black Hole: Why Scientific Work Falls Through the Cracks September 2, 2026 No Comments The CRO Data Tax: What External Research Is Really Costing You July 1, 2026 No Comments Your ‘Best of Breed’ Strategy Is Strangling Your Research Workflow February 13, - [Default Kit](https://workflowinformatics.com/?elementor_library=default-kit) ## Categories - [News Post](https://workflowinformatics.com/category/news-post/) - [Publication](https://workflowinformatics.com/category/publication/) - [Blog Post](https://workflowinformatics.com/category/blog-post/)