KYIV, UKRAINE , January 11, 2024 /EINPresswire.com/ -- 𝘚𝘺𝘯𝘵𝘩𝘦𝘵𝘪𝘤𝘎𝘦𝘴𝘵𝘢𝘭𝘵 𝘸𝘪𝘭𝘭 𝘥𝘦𝘷𝘦𝘭𝘰𝘱 𝘢 𝘱𝘳𝘦-𝘵𝘳𝘢𝘪𝘯𝘦𝘥 𝘈𝘐 𝘮𝘰𝘥𝘦𝘭 𝘵𝘰 𝘥𝘪𝘴𝘤𝘰𝘷𝘦𝘳 𝘴𝘺𝘯𝘵𝘩𝘦𝘴𝘪𝘻𝘢𝘣𝘭𝘦 𝘥𝘳𝘶𝘨-𝘭𝘪𝘬𝘦 𝘩𝘪𝘵 𝘤𝘢𝘯𝘥𝘪𝘥𝘢𝘵𝘦𝘴. 𝘛𝘩𝘪𝘴 𝘮𝘰𝘥𝘦𝘭 𝘸𝘪𝘭𝘭 𝘶𝘵𝘪𝘭𝘪𝘻𝘦 38 𝘣𝘪𝘭𝘭𝘪𝘰𝘯 𝘤𝘰𝘮𝘱𝘰𝘶𝘯𝘥𝘴 𝘧𝘳𝘰𝘮 𝘌𝘯𝘢𝘮𝘪𝘯𝘦 𝘙𝘌𝘈𝘓 𝘥𝘢𝘵𝘢𝘣𝘢𝘴𝘦 𝘢𝘴 𝘢 𝘥𝘢𝘵𝘢𝘴𝘦𝘵 𝘧𝘰𝘳 𝘱𝘳𝘦-𝘵𝘳𝘢𝘪𝘯𝘪𝘯𝘨.

SyntheticGestalt, a research and development company specializing in the application of AI to the life sciences domain, and Enamine, the world’s leading provider of chemical building blocks, screening compounds, and integrated drug discovery services, have announced the start of a joint effort to create a suite of AI models that will enable the generation of synthetically accessible biologically active compounds with optimized physicochemical and ADME/ Tox properties. The models will be applicable to the compound discovery initiatives of SyntheticGestalt, as well as its service for both academic users and pharmaceutical companies.

Enamine will provide access to its largest enumerated database of make-on-demand compounds, Enamine REAL database, which has 38 billion molecules in its current edition. SyntheticGestalt will add the REAL database to its Drug Discovery Service, which uses proprietary AI models to provide predictions on physicochemical and ADME/ Tox properties of compounds. For compounds with issues, the service proposes improved alternative compounds instantaneously.
Enamine will synthesize the selected compounds within just 3-4 weeks and provide quality pharmacological 𝑖𝑛 𝑣𝑖𝑡𝑟𝑜 profiling data through the in-house tests to streamline and shorten the discovery cycle.

Furthermore, SyntheticGestalt will enhance its pre-trained AI model using the data provided by Enamine. It is expected to become the largest pre-trained model in the world based on the 3D structures of the compounds, to improve the predictive accuracy of SyntheticGestalt’s machine learning models. The resulting models will be offered on a joint research basis to certain interested parties. The pre-trained AI model and its performance will be presented at NVIDIA’s annual event, NVIDIA GTC Japan AI Day, in March of 2024.

𝐈𝐚𝐫𝐨𝐬𝐥𝐚𝐯𝐚 𝐊𝐨𝐬, 𝐃𝐢𝐫𝐞𝐜𝐭𝐨𝐫 𝐨𝐟 𝐁𝐮𝐬𝐢𝐧𝐞𝐬𝐬 𝐃𝐞𝐯𝐞𝐥𝐨𝐩𝐦𝐞𝐧𝐭 at 𝐄𝐧𝐚𝐦𝐢𝐧𝐞 commented: “𝘛𝘩𝘦 𝘱𝘳𝘰𝘮𝘪𝘴𝘦 𝘱𝘳𝘰𝘷𝘪𝘥𝘦𝘥 𝘣𝘺 𝘈𝘐/𝘔𝘓 𝘱𝘰𝘸𝘦𝘳𝘦𝘥 𝘤𝘰𝘮𝘱𝘶𝘵𝘢𝘵𝘪𝘰𝘯𝘢𝘭 𝘥𝘦𝘴𝘪𝘨𝘯𝘴 𝘪𝘯 𝘵𝘩𝘦 𝘥𝘪𝘴𝘤𝘰𝘷𝘦𝘳𝘺 𝘰𝘧 𝘯𝘦𝘸 𝘥𝘳𝘶𝘨𝘴 𝘤𝘢𝘯𝘯𝘰𝘵 𝘣𝘦 𝘶𝘯𝘥𝘦𝘳𝘦𝘴𝘵𝘪𝘮𝘢𝘵𝘦𝘥. 𝘍𝘪𝘯𝘥𝘪𝘯𝘨 𝘯𝘦𝘸 𝘢𝘤𝘵𝘪𝘷𝘦 𝘤𝘰𝘮𝘱𝘰𝘶𝘯𝘥𝘴 𝘣𝘺 𝘴𝘺𝘯𝘵𝘩𝘦𝘴𝘪𝘴 𝘰𝘧 𝘫𝘶𝘴𝘵 𝘢 𝘩𝘢𝘯𝘥𝘧𝘶𝘭 𝘰𝘧 𝘯𝘰𝘷𝘦𝘭 𝘤𝘰𝘮𝘱𝘰𝘶𝘯𝘥𝘴 𝘭𝘰𝘰𝘬𝘴 𝘧𝘢𝘯𝘵𝘢𝘴𝘵𝘪𝘤. 𝘞𝘦 𝘢𝘳𝘦 𝘱𝘭𝘦𝘢𝘴𝘦𝘥 𝘵𝘰 𝘦𝘯𝘵𝘦𝘳 𝘤𝘰𝘭𝘭𝘢𝘣𝘰𝘳𝘢𝘵𝘪𝘰𝘯 𝘸𝘪𝘵𝘩 𝘚𝘺𝘯𝘵𝘩𝘦𝘵𝘪𝘤𝘎𝘦𝘴𝘵𝘢𝘭𝘵 𝘣𝘳𝘪𝘯𝘨𝘪𝘯𝘨 𝘵𝘰 𝘵𝘩𝘦 𝘵𝘢𝘣𝘭𝘦 𝘵𝘩𝘦 𝘵𝘢𝘭𝘦𝘯𝘵 𝘢𝘯𝘥 𝘦𝘹𝘱𝘦𝘳𝘵𝘪𝘴𝘦 𝘰𝘧 𝘰𝘶𝘳 𝘴𝘤𝘪𝘦𝘯𝘵𝘪𝘴𝘵𝘴 𝘵𝘰 𝘳𝘦𝘢𝘭𝘪𝘻𝘦 𝘮𝘶𝘵𝘶𝘢𝘭 𝘨𝘰𝘢𝘭𝘴. 𝘞𝘦 𝘭𝘰𝘰𝘬 𝘧𝘰𝘳𝘸𝘢𝘳𝘥 𝘵𝘰 𝘫𝘰𝘪𝘯𝘪𝘯𝘨 𝘦𝘧𝘧𝘰𝘳𝘵𝘴 𝘵𝘰𝘸𝘢𝘳𝘥𝘴 𝘵𝘩𝘦 𝘭𝘰𝘯𝘨-𝘥𝘦𝘴𝘪𝘳𝘦𝘥 𝘵𝘩𝘦𝘳𝘢𝘱𝘦𝘶𝘵𝘪𝘤𝘴.”

𝐊𝐨𝐤𝐢 𝐒𝐡𝐢𝐦𝐚𝐝𝐚, 𝐂𝐄𝐎 at 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜𝐆𝐞𝐬𝐭𝐚𝐥𝐭 commented: “𝘛𝘩𝘦 𝘶𝘴𝘦 𝘰𝘧 𝘮𝘢𝘤𝘩𝘪𝘯𝘦 𝘭𝘦𝘢𝘳𝘯𝘪𝘯𝘨 𝘪𝘯 𝘥𝘳𝘶𝘨 𝘥𝘪𝘴𝘤𝘰𝘷𝘦𝘳𝘺 𝘳𝘦𝘴𝘦𝘢𝘳𝘤𝘩 𝘩𝘢𝘴 𝘭𝘰𝘯𝘨 𝘣𝘦𝘦𝘯 𝘱𝘭𝘢𝘨𝘶𝘦𝘥 𝘣𝘺 𝘵𝘩𝘦 𝘱𝘳𝘰𝘣𝘭𝘦𝘮 𝘰𝘧 𝘩𝘪𝘨𝘩 𝘱𝘦𝘳𝘧𝘰𝘳𝘮𝘢𝘯𝘤𝘦 𝘰𝘯 𝘵𝘳𝘢𝘪𝘯𝘪𝘯𝘨 𝘥𝘢𝘵𝘢 𝘣𝘶𝘵 𝘭𝘰𝘸 𝘱𝘦𝘳𝘧𝘰𝘳𝘮𝘢𝘯𝘤𝘦 𝘪𝘯 𝘢𝘤𝘵𝘶𝘢𝘭 𝘶𝘴𝘦. 𝘛𝘰 𝘴𝘰𝘭𝘷𝘦 𝘵𝘩𝘪𝘴 𝘱𝘳𝘰𝘣𝘭𝘦𝘮, 𝘪𝘵 𝘪𝘴 𝘯𝘦𝘤𝘦𝘴𝘴𝘢𝘳𝘺 𝘵𝘰 𝘥𝘦𝘷𝘦𝘭𝘰𝘱 𝘱𝘳𝘦-𝘵𝘳𝘢𝘪𝘯𝘪𝘯𝘨 𝘮𝘰𝘥𝘦𝘭𝘴 𝘶𝘴𝘪𝘯𝘨 𝘥𝘢𝘵𝘢 𝘵𝘩𝘢𝘵 𝘸𝘪𝘭𝘭 𝘣𝘦 𝘶𝘴𝘦𝘥 𝘪𝘯 𝘳𝘦𝘢𝘭-𝘸𝘰𝘳𝘭𝘥 𝘢𝘱𝘱𝘭𝘪𝘤𝘢𝘵𝘪𝘰𝘯𝘴. 𝘛𝘩𝘦 𝘌𝘯𝘢𝘮𝘪𝘯𝘦 𝘙𝘌𝘈𝘓 𝘥𝘢𝘵𝘢𝘣𝘢𝘴𝘦 𝘪𝘴 𝘵𝘩𝘦 𝘱𝘦𝘳𝘧𝘦𝘤𝘵 𝘮𝘢𝘵𝘤𝘩 𝘧𝘰𝘳 𝘰𝘶𝘳 𝘪𝘯𝘪𝘵𝘪𝘢𝘵𝘪𝘷𝘦 𝘢𝘴 𝘵𝘩𝘦 𝘮𝘰𝘴𝘵 𝘵𝘳𝘶𝘴𝘵𝘦𝘥 𝘢𝘯𝘥 𝘵𝘩𝘦 𝘭𝘢𝘳𝘨𝘦𝘴𝘵 𝘮𝘢𝘬𝘦-𝘰𝘯-𝘥𝘦𝘮𝘢𝘯𝘥 𝘴𝘦𝘵 𝘰𝘯 𝘵𝘩𝘦 𝘮𝘢𝘳𝘬𝘦𝘵. 𝘞𝘦 𝘣𝘦𝘭𝘪𝘦𝘷𝘦 𝘵𝘩𝘢𝘵 𝘵𝘩𝘦 𝘶𝘭𝘵𝘳𝘢-𝘭𝘢𝘳𝘨𝘦 𝘱𝘳𝘦-𝘵𝘳𝘢𝘪𝘯𝘦𝘥 𝘮𝘰𝘥𝘦𝘭 𝘸𝘦 𝘢𝘳𝘦 𝘥𝘦𝘷𝘦𝘭𝘰𝘱𝘪𝘯𝘨 𝘸𝘪𝘭𝘭 𝘦𝘯𝘢𝘣𝘭𝘦 𝘢 𝘤𝘰𝘴𝘮𝘪𝘤 𝘭𝘦𝘢𝘱 𝘪𝘯 𝘈𝘐 𝘥𝘳𝘶𝘨 𝘥𝘪𝘴𝘤𝘰𝘷𝘦𝘳𝘺, 𝘫𝘶𝘴𝘵 𝘢𝘴 𝘵𝘩𝘦 𝘭𝘢𝘳𝘨𝘦-𝘴𝘤𝘢𝘭𝘦 𝘱𝘳𝘦-𝘵𝘳𝘢𝘪𝘯𝘪𝘯𝘨 𝘮𝘢𝘥𝘦 𝘢 𝘳𝘦𝘷𝘰𝘭𝘶𝘵𝘪𝘰𝘯 𝘪𝘯 𝘓𝘢𝘳𝘨𝘦 𝘓𝘢𝘯𝘨𝘶𝘢𝘨𝘦 𝘔𝘰𝘥𝘦𝘭𝘴 (𝘓𝘓𝘔𝘴).”

𝐄𝐍𝐃𝐒

𝐀𝐛𝐨𝐮𝐭 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜𝐆𝐞𝐬𝐭𝐚𝐥𝐭
SyntheticGestalt is an artificial intelligence research and development company specialising in AI drug discovery and other life science fields. Its research and development are focused on the discovery of useful substances using its independently developed artificial intelligence technology. The AI platform used in this research has a cloud-based, scalable structure and can make predictions on large libraries, making it possible to predict physicochemical and ADME/ Tox properties and early toxicity, as well as enzyme functions. SyntheticGestalt welcomes open innovation through joint research with public institutions and private companies. For more information visit: https://syntheticgestalt.com

𝐀𝐛𝐨𝐮𝐭 𝐭𝐡𝐞 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜𝐆𝐞𝐬𝐭𝐚𝐥𝐭 𝐃𝐫𝐮𝐠 𝐃𝐢𝐬𝐜𝐨𝐯𝐞𝐫𝐲 𝐒𝐞𝐫𝐯𝐢𝐜𝐞
SyntheticGestalt offers a web service specifically aimed at proposing solutions to ADME/ Tox and physicochemical problems of Hit ~ Lead compounds, based on its proprietary machine learning models. The service is available for trial from the following link: https://drugdiscovery.syntheticgestalt.com/

𝐀𝐛𝐨𝐮𝐭 𝐄𝐧𝐚𝐦𝐢𝐧𝐞
Enamine is a scientifically driven integrated discovery Contract Research Organisation with unique partnering opportunities in exploring new chemical space. The company combines access to the in-house produced screening compounds (4M in stock) and building blocks (300K in stock) with a comprehensive platform of integrated discovery services to advance and accelerate the efforts in Drug Discovery. For more information visit: https://enamine.net

𝐀𝐛𝐨𝐮𝐭 𝐄𝐧𝐚𝐦𝐢𝐧𝐞 𝐑𝐄𝐀𝐋 𝐃𝐚𝐭𝐚𝐛𝐚𝐬𝐞
Enamine REAL^® Database (𝐑𝐄adily 𝐀ccesib𝐋e) is a collection of over 38 billion enumerated molecules that can be synthesized at Enamine extremely fast (3-4 weeks), with high feasibility (over 80%), and inexpensive. The REAL compounds are created by parallel chemistry through the compilation of 137,000 building blocks via 167 different synthesis protocols, underlying Enamine’s approach to design make-on-demand compounds to maximize synthesis success rate.

Iaroslava Kos
Enamine Ltd.
info@enamine.net

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