3RnD provides access to a diverse range of thousands of screened and annotated chemicals from across industry segments. Compare your own compounds, based on structure or biological fingerprints if run through our screens, to historical compounds from across the pharmaceutical, agricultural, industrial and cosmetics industries. 3RnD is a platform for supporting safer compound selection, prioritization and progression across all of the chemical producing industries.
3RnD® enables nearest neighbor similarity analysis in comparison to thousands of annotated compounds. Explore the effects of structure, SAR modifications and associated biological effects with stunning visuals. View your compounds in the context of a chemically diverse compound universe and transform data into discoveries, information into knowledge.
For Medicinal Chemists, understanding which chemical scaffolds represent the safest starting point at the hit-to-lead stage, is challenging. Similarly, for Drug Discovery teams, defining an early estimate of the potential Therapeutic Index (TI) as SAR modifications are made, within or across chemical cohorts, is difficult.
The 3RnD platform was designed to help solve these challenges by enabling the evaluation of toxicity predictions earlier in discovery to avoid costly failures downstream. Selecting safer scaffolds at hit-to-lead and during SAR helps provide teams with an evolving view of the predicted TI throughout early lead optimization. This improves decision making around chemical strategy and guides stage gate progression, as it helps to determine the potential trade-offs to safety, dose and efficacy.
The agricultural chemical industry requires innovative new pesticides that overcome resistance and are safer for humans and the environment. However, characterizing the associated safety risk has become increasingly challenging due to the implementation of 3Rs. As a result, integration of new in vitro cell-based screening approaches earlier into the R&D process is required. However, rigorous validation is usually lacking, making routine implementation a challenge.
3RnD addresses this challenge by providing an integrated platform to help predict potential toxicity risk earlier in R&D. Validated phenotypic screens are combined with machine learning and cloud visualization to enable incorporation of high-quality safety predictions into a more modern risk assessment approach. Biological fingerprints for new pesticides can be visually compared to similar fingerprints for hundreds of historical pesticides to help select new compounds with the desired safety profiles.
The industry is expanding efforts to develop green chemistry initiatives that replace older chemicals of concern with safer alternatives. However, due to 3Rs, cost and throughput considerations, more modern in vitro screening approaches are required to support safety evaluations. The resulting data diversity requires modern data management approaches to compare new to historical chemistries, ensuring the desired safety profiles are achieved.
3RnD addresses these needs by providing an integrated platform combining a suite of internal and partner toxicity screens, with machine learning and state-of-the-art visualization. By providing a predictive, in vitro screening and analysis platform, rapid, accurate and cost-effective toxicity assessments can be achieved to help prioritize green chemistry initiatives using an approach that contributes to the industry’s 3Rs objectives.
The EU ban on animal testing for cosmetics, driven by consumer demand, has created product innovation challenges for the cosmetics industry. This has resulted in a critical need for alternative non-mammalian and human cell-based phenotypic screening approaches to identify toxicity risk and ensure consumer safety. However, accuracy, validation and data translation for these
New Approach Methodologies (NAMs) remains a significant challenge.
3RnD helps address this critical need by integrating validated, high-content, phenotypic screens (human cells) covering critical toxicity risk categories, with sophisticated analysis and visualization to enable simple result interpretation. By transforming high-complexity data into actionable decisions for well-validated NAMs, we can support the cosmetics industry in their drive towards renewed innovation.
Natural Products (NPs) are undergoing a ‘renaissance’ as an inspiration and source for new product solutions across multiple industry segments. This is being driven by technology advances in fields such as isolation, genomic mining, engineering and microbial culturing. The combination of these advances, historical product successes and substantial scaffold diversity is driving renewed interest in NP research.
To support initiatives in this field and to enable exploration, 3RnD has included features and tools to support NP researchers, from comparing natural products structures, properties and classification in our ChOSMOS exploration tool, to toxicity predictions for NPs screened by AsedaSciences or our partners.
Consumer demand for Nutraceutical products, containing additives or supplements, that support actual or perceived health benefits, is growing rapidly. These additives often integrate plant extracts or natural products, where the safety risk may not be fully understood.
3RnD will centralize standardized toxicity data for a growing variety of compounds within nutraceuticals, so this information is available for comparison. Safety data on many of these compounds is sparse, so AsedaSciences and our partners will continue to build predictive information from standardized screens into 3RnD to provide an expanding resource for comparison of structures and associated biological effects.
Many chemicals are associated with food – some intentional and others unintentional. This can range from additives intentionally used to impart or improve flavor, aroma, color, shelf life, texture, nutritional value or cost, through to environmental contaminants from pesticides or industrial chemicals. Nearly a third of consumers consider chemicals in their food as their top food safety concern, driving an increasing need to understand the health related risks associated with chemicals in food.
3RnD’s expanding library of biological fingerprints for chemicals associated with food, as either additives or contaminants, will be an increasingly valuable resource for the industry to determine areas for additional research or prioritization to understand potential human health risks. New food additives or chemicals of concern can be rapidly screened and profiled against our large training set of chemicals with known human safety profiles, providing a probabilistic safety risk assessment based on similarity.
Excipients include preservatives, solubilizers, vehicles and colorants and are dominant components of drug, food and cosmetics formulations. While originally thought to be inert, recent publications demonstrate the potential for interaction with cellular targets, causing unwanted biological effects. The majority of excipients are used without obvious biological effects, however, some have been de-listed by the FDA and others associated with various health related concerns.
AsedaSciences has published a proof of concept on the importance of integrating live-cell phenotypic screening with machine learning to identify potential risks associated with excipients. This data is housed in 3RnD and the library of screened excipients will continue to expand. These growing data sets on excipients, as a class, will help provide the same level of biological risk assessment as the active pharmaceutical ingredients
