Neural network models for predicting chemical reaction products and synthesis pathways of target compounds
Reaction prediction
Quantitative assessment of the reliability of the predicted results
Appraisal
Multistep schemes for the synthesis of target compounds from commercially available reagents
Retrosynthesis
Potential interaction products of user-defined molecules
Synthesis
A tool for predicting single-step reaction products based on user-defined reagents. Product variants are ranked according to the reliability of the predictions. Syntelli property prediction results are available for products. It is possible to add product structures to a dataset for further work
Synthesis: reaction products
A tool for predicting multi-step pathways for synthesizing a target compound. Five synthesis schemes are ranked according to the reliability of the predictions. For each intermediate compound found in the Syntelli database, the full functionality of the platform is available. Property predictions are available for new compounds. The synthesis scheme can be exported as a figure or a dataset
Retrosynthesis: the path to the molecule
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