Chemical.AI

In October’s Chemical.AI Newsletter, we continue our series, "The Route Not Taken," showcasing ChemAIRS’ innovative pathways for complex molecules like those from Schrödinger and Arcus Biosciences. This month, ChemAIRS revealed efficient synthetic routes that streamline processes and save resources. We also highlight the crucial role of cleavage site selection in retrosynthesis, now enhanced by ChemAIRS' latest upgrade for more precise, customizable analysis. This feature simplifies complex molecules, making synthesis routes more efficient. With AI’s recent Nobel recognition, we’re excited to share how ChemAIRS empowers breakthroughs in drug discovery, advancing synthetic chemistry’s future.

In chemical synthesis, selecting the right cleavage sites is key to efficiently breaking down complex molecules into simpler components. With its latest update, #ChemAIRS offers an enhanced tool for classifying cleavage sites and streamlining reaction planning, transforming your synthesis experience. #AIinChemistry #SyntheticChemistry #Retrosynthesis

𝘛𝘩𝘦 𝘙𝘰𝘶𝘵𝘦 𝘕𝘰𝘵 𝘛𝘢𝘬𝘦𝘯 - 𝘌𝘱𝘪𝘴𝘰𝘥𝘦 10 𝐏𝐫𝐞𝐝𝐢𝐜𝐭𝐢𝐨𝐧 𝐨𝐟 𝐂𝐨𝐧𝐯𝐞𝐫𝐠𝐞𝐧𝐭 𝐒𝐲𝐧𝐭𝐡𝐞𝐬𝐢𝐬 𝐟𝐨𝐫 𝐂𝐚𝐬𝐝𝐚𝐭𝐢𝐟𝐚𝐧 (𝐀𝐁𝟓𝟐𝟏) 𝐮𝐬𝐢𝐧𝐠 𝐂𝐡𝐞𝐦𝐀𝐈𝐑𝐒 The molecular architecture of Casdatifan (#AB521) from Arcus Biosciences consists of four densely substituted ring systems containing five stereocenters, presenting considerable complexity in the overall synthetic design. 𝐶ℎ𝑒𝑚𝐴𝐼𝑅𝑆 𝑑𝑒𝑣𝑒𝑙𝑜𝑝𝑒𝑑 𝑠𝑒𝑣𝑒𝑟𝑎𝑙 𝑐𝑜𝑛𝑣𝑒𝑟𝑔𝑒𝑛𝑡 𝑠𝑦𝑛𝑡ℎ𝑒𝑡𝑖𝑐 𝑟𝑜𝑢𝑡𝑒𝑠 𝑓𝑜𝑟 𝐴𝐵521, 𝑤ℎ𝑒𝑟𝑒 𝑐𝑟𝑖𝑡𝑖𝑐𝑎𝑙 𝑖𝑛𝑡𝑒𝑟𝑚𝑒𝑑𝑖𝑎𝑡𝑒𝑠 𝑐𝑜𝑢𝑙𝑑 𝑏𝑒 𝑠𝑦𝑛𝑡ℎ𝑒𝑠𝑖𝑧𝑒𝑑 𝑖𝑛 𝑝𝑎𝑟𝑎𝑙𝑙𝑒𝑙 𝑡𝑜 𝑓𝑎𝑐𝑖𝑙𝑖𝑡𝑎𝑡𝑒 𝑡ℎ𝑒 𝑐𝑜𝑛𝑠𝑡𝑟𝑢𝑐𝑡𝑖𝑜𝑛 𝑜𝑓 𝑡ℎ𝑒 𝑓𝑖𝑛𝑎𝑙 𝑡𝑎𝑟𝑔𝑒𝑡 𝑚𝑜𝑙𝑒𝑐𝑢𝑙𝑒. The synthetic route begins with a key coupling reaction between intermediates 10a and 10b, derived from readily accessible commercial precursors such as dibromo benzaldehyde (6b) and bromo indanone (1a) (Scheme 1). The synthesis of 10a follows a four-step sequence as proposed by ChemAIRS, differing from the multistep approach outlined in the corresponding patent. This route initiates with the coupling of fluoroketone 6a and dibromo benzaldehyde 6b, followed by an intramolecular aldol condensation to yield compound 8a. Subsequent steps involve ketone reduction and Pd-catalyzed cyanation, ultimately affording intermediate 10a. Given the aldehyde functionality in 6b, which poses a potential risk for the coupling reaction, an alternative two-step synthesis of intermediate 7a was developed (Scheme 2). Additionally, our system flagged a risk associated with the synthesis of 10b, as highlighted in Figure 1. 𝐀𝐥𝐭𝐞𝐫𝐧𝐚𝐭𝐢𝐯𝐞 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜 𝐀𝐩𝐩𝐫𝐨𝐚𝐜𝐡 𝐭𝐨 𝐀𝐁𝟓𝟐𝟏 ChemAIRS also suggested an alternative pathway to AB521, illustrated in Scheme 3. In the first part of the synthesis, intermediate 7a can be obtained as a mixture of isomers post-fluorination, which can be resolved via column chromatography. Importantly, in the latter stages of the synthesis, our system recommended an enantioselective mono-fluorination strategy to prepare compound 3a, as demonstrated in the reference reaction (Figure 2). In conclusion, #ChemAIRS has proven its capability to identify alternative synthetic routes for complex drug molecules, 𝑝𝑟𝑜𝑣𝑖𝑑𝑖𝑛𝑔 𝑢𝑛𝑖𝑞𝑢𝑒 𝑝𝑎𝑡ℎ𝑤𝑎𝑦𝑠 𝑡ℎ𝑎𝑡 ℎ𝑎𝑣𝑒 𝑡ℎ𝑒 𝑝𝑜𝑡𝑒𝑛𝑡𝑖𝑎𝑙 𝑡𝑜 𝑠𝑎𝑣𝑒 𝑟𝑒𝑠𝑒𝑎𝑟𝑐ℎ𝑒𝑟𝑠 𝑡𝑖𝑚𝑒 𝑎𝑛𝑑 𝑒f𝑓𝑜𝑟𝑡, 𝑡ℎ𝑢𝑠 𝑒𝑛𝑎𝑏𝑙𝑖𝑛𝑔 𝑎 𝑚𝑜𝑟𝑒 𝑒𝑓𝑓𝑖𝑐𝑖𝑒𝑛𝑡 𝑒𝑥𝑝𝑙𝑜𝑟𝑎𝑡𝑖𝑜𝑛 𝑜𝑓 𝑠𝑦𝑛𝑡ℎ𝑒𝑡𝑖𝑐 𝑠𝑡𝑟𝑎𝑡𝑒𝑔𝑖𝑒𝑠. #casdatifan #renalcellcancer #retrosynthesis #enantioselectivity

𝘛𝘩𝘦 𝘙𝘰𝘶𝘵𝘦 𝘕𝘰𝘵 𝘛𝘢𝘬𝘦𝘯 - 𝘌𝘱𝘪𝘴𝘰𝘥𝘦 9 𝐎𝐩𝐭𝐢𝐦𝐢𝐳𝐚𝐭𝐢𝐨𝐧 𝐨𝐟 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜 𝐑𝐨𝐮𝐭𝐞𝐬 𝐟𝐨𝐫 𝐒𝐆𝐑-𝟏𝟓𝟎𝟓 𝐔𝐬𝐢𝐧𝐠 𝐂𝐡𝐞𝐦𝐀𝐈𝐑𝐒 #ChemAIRS evaluated the synthetic routes for producing 𝐒𝐆𝐑-𝟏𝟓𝟎𝟓, a promising candidate for B-cell lymphoma treatment, developed by Schrödinger. The initial synthetic approach began with a cyclocondensation reaction between intermediates 2a and 2b, followed by hydrolysis of intermediate 3a, and a subsequent Curtius rearrangement to form urea intermediate 5a (Scheme 1). For the final step, ChemAIRS suggested two catalytic pathways: a copper-catalyzed intramolecular oxidative amidation or a nickel-catalyzed intramolecular cyclization (Figure 1). The final target molecule could exist as a racemic mixture, which can be resolved via chiral column chromatography. This synthetic approach, particularly the use of the Curtius rearrangement, presents a new idea to previously published routes for SGR-1505 synthesis. 𝐀𝐥𝐭𝐞𝐫𝐧𝐚𝐭𝐢𝐯𝐞 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜 𝐀𝐩𝐩𝐫𝐨𝐚𝐜𝐡 𝐭𝐨 𝐒𝐆𝐑-𝟏𝟓𝟎𝟓 An alternative route to the final API began with an introduction of chirality early in the synthesis, yielding intermediate 2a (Scheme 2). ChemAIRS proposed using asymmetric methylation with (S)-valine t-Bu-ester as a chiral auxiliary (Figure 2). This enantioselective reaction eliminates the need for costly chiral purification steps later in the synthesis by generating the desired stereochemistry in situ. For the final step, two synthetic strategies were suggested. The first involved a palladium-catalyzed amination between intermediates 7a and 7b, though the high cost of substrate 7a prompted an alternative route. ChemAIRS proposed a transamidation between amine 7a and urea 7b, offering a more cost-effective method for constructing the target compound (Figure 3). In conclusion, 𝐶ℎ𝑒𝑚𝐴𝐼𝑅𝑆 𝑛𝑜𝑡 𝑜𝑛𝑙𝑦 𝑝𝑟𝑜𝑣𝑖𝑑𝑒𝑑 𝑒𝑓𝑓𝑖𝑐𝑖𝑒𝑛𝑡 𝑠𝑡𝑟𝑎𝑡𝑒𝑔𝑖𝑒𝑠 𝑓𝑜𝑟 𝑜𝑏𝑡𝑎𝑖𝑛𝑖𝑛𝑔 𝑡ℎ𝑒 𝑓𝑖𝑛𝑎𝑙 𝐴𝑃𝐼 𝑏𝑢𝑡 𝑎𝑙𝑠𝑜 𝑜𝑓𝑓𝑒𝑟𝑒𝑑 𝑣𝑎𝑙𝑢𝑎𝑏𝑙𝑒 𝑖𝑛𝑠𝑖𝑔ℎ𝑡𝑠 𝑡𝑜 𝑖𝑛𝑠𝑝𝑖𝑟𝑒 𝑓𝑢𝑟𝑡ℎ𝑒𝑟 𝑖𝑛𝑛𝑜𝑣𝑎𝑡𝑖𝑜𝑛 𝑖𝑛 𝑠𝑦𝑛𝑡ℎ𝑒𝑡𝑖𝑐 𝑚𝑒𝑡ℎ𝑜𝑑𝑜𝑙𝑜𝑔𝑖𝑒𝑠. #reactioninformatics #retrosynthesis #MALT1 #asymmetricsynthesis #lymphoma #SGR-1505

𝘛𝘩𝘦 𝘙𝘰𝘶𝘵𝘦 𝘕𝘰𝘵 𝘛𝘢𝘬𝘦𝘯 - 𝘌𝘱𝘪𝘴𝘰𝘥𝘦 9 𝐎𝐩𝐭𝐢𝐦𝐢𝐳𝐚𝐭𝐢𝐨𝐧 𝐨𝐟 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜 𝐑𝐨𝐮𝐭𝐞𝐬 𝐟𝐨𝐫 𝐒𝐆𝐑-𝟏𝟓𝟎𝟓 𝐔𝐬𝐢𝐧𝐠 𝐂𝐡𝐞𝐦𝐀𝐈𝐑𝐒 #ChemAIRS evaluated the synthetic routes for producing 𝐒𝐆𝐑-𝟏𝟓𝟎𝟓, a promising candidate for B-cell lymphoma treatment, developed by Schrödinger. The initial synthetic approach began with a cyclocondensation reaction between intermediates 2a and 2b, followed by hydrolysis of intermediate 3a, and a subsequent Curtius rearrangement to form urea intermediate 5a (Scheme 1). For the final step, ChemAIRS suggested two catalytic pathways: a copper-catalyzed intramolecular oxidative amidation or a nickel-catalyzed intramolecular cyclization (Figure 1). The final target molecule could exist as a racemic mixture, which can be resolved via chiral column chromatography. This synthetic approach, particularly the use of the Curtius rearrangement, presents a new idea to previously published routes for SGR-1505 synthesis. 𝐀𝐥𝐭𝐞𝐫𝐧𝐚𝐭𝐢𝐯𝐞 𝐒𝐲𝐧𝐭𝐡𝐞𝐭𝐢𝐜 𝐀𝐩𝐩𝐫𝐨𝐚𝐜𝐡 𝐭𝐨 𝐒𝐆𝐑-𝟏𝟓𝟎𝟓 An alternative route to the final API began with an introduction of chirality early in the synthesis, yielding intermediate 2a (Scheme 2). ChemAIRS proposed using asymmetric methylation with (S)-valine t-Bu-ester as a chiral auxiliary (Figure 2). This enantioselective reaction eliminates the need for costly chiral purification steps later in the synthesis by generating the desired stereochemistry in situ. For the final step, two synthetic strategies were suggested. The first involved a palladium-catalyzed amination between intermediates 7a and 7b, though the high cost of substrate 7a prompted an alternative route. ChemAIRS proposed a transamidation between amine 7a and urea 7b, offering a more cost-effective method for constructing the target compound (Figure 3). In conclusion, 𝐶ℎ𝑒𝑚𝐴𝐼𝑅𝑆 𝑛𝑜𝑡 𝑜𝑛𝑙𝑦 𝑝𝑟𝑜𝑣𝑖𝑑𝑒𝑑 𝑒𝑓𝑓𝑖𝑐𝑖𝑒𝑛𝑡 𝑠𝑡𝑟𝑎𝑡𝑒𝑔𝑖𝑒𝑠 𝑓𝑜𝑟 𝑜𝑏𝑡𝑎𝑖𝑛𝑖𝑛𝑔 𝑡ℎ𝑒 𝑓𝑖𝑛𝑎𝑙 𝐴𝑃𝐼 𝑏𝑢𝑡 𝑎𝑙𝑠𝑜 𝑜𝑓𝑓𝑒𝑟𝑒𝑑 𝑣𝑎𝑙𝑢𝑎𝑏𝑙𝑒 𝑖𝑛𝑠𝑖𝑔ℎ𝑡𝑠 𝑡𝑜 𝑖𝑛𝑠𝑝𝑖𝑟𝑒 𝑓𝑢𝑟𝑡ℎ𝑒𝑟 𝑖𝑛𝑛𝑜𝑣𝑎𝑡𝑖𝑜𝑛 𝑖𝑛 𝑠𝑦𝑛𝑡ℎ𝑒𝑡𝑖𝑐 𝑚𝑒𝑡ℎ𝑜𝑑𝑜𝑙𝑜𝑔𝑖𝑒𝑠. #reactioninformatics #retrosynthesis #MALT1 #asymmetricsynthesis #lymphoma #SGR-1505

In the second edition of our Chemical.AI Newsletter, we delve deeper into our ongoing scientific commentary series, "𝐓𝐡𝐞 𝐑𝐨𝐮𝐭𝐞 𝐍𝐨𝐭 𝐓𝐚𝐤𝐞𝐧". This the past month, we explored innovative molecules from Vertex Pharmaceuticals, Takeda, and Boehringer Ingelheim, showcasing the predictive capabilities of ChemAIRS in uncovering novel and efficient synthetic pathways. In addition to highlighting our #ChemAIRS platform, we also revisited key discussions from our LinkedIn community on Impurity Prediction and Predicting Molecular Reactive Sites. These topics are vital for ensuring the safety and efficacy of new chemical entities. Our AI-driven tools offer remarkable accuracy in predicting potential impurities and reactive hotspots, which are often difficult to detect early in development. We're excited to share a heartwarming testimonial from Mesentech, a pioneering Vancouver-based biotech startup that innovates drug delivery using small molecule therapeutics. This collaboration underscores the transformative potential of AI-driven tools like ChemAIRS, empowering chemists to drive drug discovery forward more efficiently and sustainably. 

We're proud to support Mesentech, a pioneering Vancouver-based biotech startup, to innovate targeted drug delivery with their cutting-edge small molecule therapeutics. Their first clinical program, aimed at promoting musculoskeletal tissue regeneration, is set to have a significant impact while minimizing organ toxicity.     Dr. Gang Chen, Director of Medicinal Chemistry at Mesentech, beautifully captures the value of using ChemAIRS from Chemical.AI: “𝘜𝘵𝘪𝘭𝘪𝘻𝘪𝘯𝘨 𝘊𝘩𝘦𝘮𝘈𝘐𝘙𝘚 𝘧𝘳𝘰𝘮 𝘊𝘩𝘦𝘮𝘪𝘤𝘢𝘭.𝘈𝘐 𝘪𝘴 𝘢𝘯𝘢𝘭𝘰𝘨𝘰𝘶𝘴 𝘵𝘰 𝘪𝘯𝘤𝘰𝘳𝘱𝘰𝘳𝘢𝘵𝘪𝘯𝘨 𝘢 𝘤𝘩𝘦𝘮𝘪𝘴𝘵 𝘸𝘪𝘵𝘩 𝘥𝘦𝘤𝘢𝘥𝘦𝘴 𝘰𝘧 𝘦𝘹𝘱𝘦𝘳𝘪𝘦𝘯𝘤𝘦 𝘪𝘯𝘵𝘰 𝘺𝘰𝘶𝘳 𝘳𝘦𝘴𝘦𝘢𝘳𝘤𝘩 𝘵𝘦𝘢𝘮. 𝘛𝘩𝘦𝘴𝘦 𝘴𝘶𝘨𝘨𝘦𝘴𝘵𝘦𝘥 𝘳𝘦𝘢𝘤𝘵𝘪𝘰𝘯𝘴 𝘢𝘳𝘦 𝘤𝘩𝘦𝘮𝘪𝘤𝘢𝘭𝘭𝘺 𝘱𝘭𝘢𝘶𝘴𝘪𝘣𝘭𝘦, 𝘵𝘩𝘰𝘶𝘨𝘩 𝘵𝘩𝘦𝘺 𝘮𝘢𝘺 𝘯𝘰𝘵 𝘩𝘢𝘷𝘦 𝘣𝘦𝘦𝘯 𝘱𝘳𝘦𝘷𝘪𝘰𝘶𝘴𝘭𝘺 𝘦𝘮𝘱𝘭𝘰𝘺𝘦𝘥 𝘵𝘰 𝘴𝘺𝘯𝘵𝘩𝘦𝘴𝘪𝘻𝘦 𝘴𝘪𝘮𝘪𝘭𝘢𝘳 𝘤𝘰𝘮𝘱𝘰𝘶𝘯𝘥𝘴".    By leveraging ChemAIRS' advanced retrosynthesis and condition search capabilities, Mesentech is speeding up the creation of innovative synthetic routes, optimizing processes with cost-effective materials, and significantly reducing waste. The flexibility of ChemAIRS empowers their chemists to quickly adapt to project needs, ensuring that every step from concept to execution is as efficient and effective as possible. Read the full case study below.    #Biotech #Innovation #AI #DrugDevelopment #ChemicalAI #Mesentech #SyntheticChemistry #Pharma

✈ We're thrilled to be attending the XXVIII EFMC International Symposium on Medicinal Chemistry from September 1 to 5. If you're there, make sure to reach out to Arthur Li. It's a fantastic chance to explore how we're pushing the boundaries in retrosynthesis, impurity prediction, process chemistry, and much more. Looking forward to the opportunity to connect and share our latest innovations with you! #EFMC2004 #MedicinalChemistry #AIinChemistry #ChemicalAI

𝘛𝘩𝘦 𝘙𝘰𝘶𝘵𝘦 𝘕𝘰𝘵 𝘛𝘢𝘬𝘦𝘯 - 𝘌𝘱𝘪𝘴𝘰𝘥𝘦 8 𝗦𝘆𝗻𝘁𝗵𝗲𝘁𝗶𝗰 𝗦𝘁𝗿𝗮𝘁𝗲𝗴𝗶𝗲𝘀 𝗳𝗼𝗿 𝗖𝗵𝗶𝗿𝗮𝗹 𝗦𝗽𝗶𝗿𝗼𝗰𝘆𝗰𝗹𝗶𝗰 𝗜𝘀𝗼𝘅𝗮𝘇𝗼𝗹𝗼𝗻𝗲: 𝗖𝗵𝗲𝗺𝗔𝗜𝗥𝗦-𝗔𝘀𝘀𝗶𝘀𝘁𝗲𝗱 𝗥𝗼𝘂𝘁𝗲 𝗗𝗲𝘃𝗲𝗹𝗼𝗽𝗺𝗲𝗻𝘁 In this study, we employed our #ChemAIRS platform to propose synthetic routes for a chiral spirocyclic isoxazolone, a crucial building block in a drug development program at Boehringer Ingelheim. The first synthetic strategy involves the preparation of a chiral intermediate (compound 2a in Scheme 1) through a catalytic asymmetric allylation of commercially available diketones 1b. The resulting cyclohexanone derivative 2a is subsequently protected as a ketal (3a) to mitigate potential side reactions in the following steps. 𝘊𝘩𝘦𝘮𝘈𝘐𝘙𝘚 𝘪𝘴 𝘤𝘢𝘱𝘢𝘣𝘭𝘦 𝘰𝘧 𝘴𝘶𝘨𝘨𝘦𝘴𝘵𝘪𝘯𝘨 𝘴𝘤𝘢𝘭𝘦-𝘶𝘱 𝘤𝘰𝘯𝘥𝘪𝘵𝘪𝘰𝘯𝘴 𝘧𝘰𝘳 𝘵𝘩𝘪𝘴 𝘳𝘦𝘢𝘤𝘵𝘪𝘰𝘯. (Figure 1). Additionally, our platform can predict possible side reactions during the synthesis of intermediate 3a (as depicted in Figure 2). The spirocyclohexane precursor 4b can subsequently be formed through an intramolecular hydroalkylation catalyzed by a palladium catalyst system. 𝗔𝗹𝘁𝗲𝗿𝗻𝗮𝘁𝗶𝘃𝗲 𝗥𝗼𝘂𝘁𝗲 𝘁𝗼 𝗖𝗵𝗶𝗿𝗮𝗹 𝗦𝗽𝗶𝗿𝗼𝗰𝘆𝗰𝗹𝗶𝗰 𝗜𝘀𝗼𝘅𝗮𝘇𝗼𝗹𝗼𝗻𝗲 ChemAIRS also identified an alternative synthetic route to the chiral spirocyclic isoxazolone, starting from different commercially available starting materials (compound 1a in Scheme 2). In this route, the intermediate 4a is synthesized via a three-step procedure, with the key chirality-inducing allylation step potentially yielding a mixture of isomers that could be resolved through chiral chromatography. Furthermore, a side reaction is detected during the synthesis of compound 4a (Figure 3). In conclusion, ChemAIRS successfully provided multiple synthetic pathways for a key intermediate in medicinal chemistry, 𝘰𝘧𝘧𝘦𝘳𝘪𝘯𝘨 𝘧𝘭𝘦𝘹𝘪𝘣𝘪𝘭𝘪𝘵𝘺 𝘪𝘯 𝘵𝘩𝘦 𝘴𝘦𝘭𝘦𝘤𝘵𝘪𝘰𝘯 𝘰𝘧 𝘴𝘵𝘢𝘳𝘵𝘪𝘯𝘨 𝘮𝘢𝘵𝘦𝘳𝘪𝘢𝘭𝘴. 𝘈𝘥𝘥𝘪𝘵𝘪𝘰𝘯𝘢𝘭𝘭𝘺, 𝘵𝘩𝘦 𝘱𝘭𝘢𝘵𝘧𝘰𝘳𝘮 𝘤𝘢𝘯 𝘪𝘥𝘦𝘯𝘵𝘪𝘧𝘺 𝘱𝘰𝘵𝘦𝘯𝘵𝘪𝘢𝘭 𝘴𝘪𝘥𝘦 𝘳𝘦𝘢𝘤𝘵𝘪𝘰𝘯𝘴 𝘢𝘯𝘥 𝘳𝘦𝘤𝘰𝘮𝘮𝘦𝘯𝘥 𝘴𝘤𝘢𝘭𝘢𝘣𝘭𝘦 𝘳𝘦𝘢𝘤𝘵𝘪𝘰𝘯 𝘤𝘰𝘯𝘥𝘪𝘵𝘪𝘰𝘯𝘴. #spirocyclic_scaffold #isoxazolone #asymmetricsynthesis #processchemistry #reactioninformatics #retrosynthesis

🚀 Catch us at ACS Fall 2024 in Denver! 🚀 The Chemical.AI team is excited to connect with you at the American Chemical Society's Fall 2024 meeting. Find My, Application Scientist and Arthur at booth #1612 from August 18-22 where we’ll showcase how our reaction informatics solutions are elevating chemistry. Discover how we are innovating retrosynthesis, impurity prediction, forward synthesis, and more. Don’t miss this opportunity to see our cutting-edge technology in action. #ACSFall2024 #ElevatingChemistry #AIinChemistry #ChemicalAI