The research article "Predicting Enzymatic Reactions with a Molecular Transformer" just got published in Chemical Science! The use of enzymes for organic synthesis allows for simplified, more economical and selective synthetic routes not accessible to conventional reagents. However, predicting whether a particular
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The research article "Prediction of chemical reaction yields using deep learning" was recently published in Machine Learning: Science and Technology. Artificial intelligence is driving one of the most important revolutions in organic chemistry. Multiple platforms, including tools for reaction prediction and synthesis
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The research article "The antibacterial activity of peptide dendrimers and polymyxin B increases sharply above pH 7.4" was recently published in Chemical Communications. pH-activity profiling reveals that antimicrobial peptide dendrimers (AMPDs) kill Klebsiella pneumoniae and Methicillin-resistant Staphylococcus aureus (MRSA) at pH
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Our research article regarding discovery of a novel and selective Janus Kinase inhibitor was selected by the editorial board of SYNFACTS for its important insights into chemical synthesis! The full article can be found here. Congratulations to all contributors!
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The research article "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" was recently published in Nature Advances. Humans use different domain languages to represent, explore, and communicate scientific concepts. During the last few hundred years, chemists compiled the language
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The Review article "Peptides in chemical space" was recently published in Medicine in Drug Discovery. The chemical space of peptides represents an extremely large reservoir of potentially bioactive compounds. Recent advances in computer hardware and software have led to a wide application
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The research article "Mapping the space of chemical reactions using attention-based neural networks" was just published in Nature Machine Intelligence. Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of complex concepts
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The research article "Retrosynthetic accessibility score (RAscore) – rapid machine learned synthesizability classification from AI driven retrosynthetic planning" was just published in RSC Chemical Science. Computer aided synthesis planning (CASP) is part of a suite of artificial intelligence (AI) based tools that are
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The research article "Stereorandomization as a method to probe peptide bioactivity" was just published in ACS Central Science. Solid-phase peptide synthesis (SPPS) is usually performed with optically pure building blocks to prepare peptides as single enantiomers. Herein we report that SPPS using
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