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Computer-generated “synthetic contingency” plans at times of logistics and supply problems: scenarios for hydroxychloroquine and remdesivir

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Computational synthesis design for controlled degradation and revalorization

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Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses

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Is Organic Chemistry Really Growing Exponentially?

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Synergy Between Expert and Machine‐Learning Approaches Allows for Improved Retrosynthetic Planning

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Estimation of multicomponent reactions’ yields from networks of mechanistic steps

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A review of automated and data-driven approaches for pathway determination and reaction monitoring in complex chemical systems

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Artificial Intelligence in Retrosynthesis Prediction and its Applications in Medicinal Chemistry

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Molecule Edit Graph Attention Network: Modeling Chemical Reactions as Sequences of Graph Edits

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Synergy Between Expert and Machine‐Learning Approaches Allows for Improved Retrosynthetic Planning

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Machine Learning Algorithm Guides Catalyst Choices for Magnesium‐Catalyzed Asymmetric Reactions

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Predicting Regioselectivity in Radical C−H Functionalization of Heterocycles through Machine Learning

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RetroBioCat as a computer-aided synthesis planning tool for biocatalytic reactions and cascades

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Network search algorithms and scoring functions for advanced‐level computerized synthesis planning

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Computational planning of the synthesis of complex natural products

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Computational prediction of complex cationic rearrangement outcomes

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Data Augmentation and Pretraining for Template-Based Retrosynthetic Prediction in Computer-Aided Synthesis Planning

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Computational Analysis of Synthetic Planning: Past and Future

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Computer-designed repurposing of chemical wastes into drugs

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Machine Learning Algorithm Guides Catalyst Choices for Magnesium‐Catalyzed Asymmetric Reactions

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Engines of discovery: Computers in advanced synthesis planning and identification of drug candidates

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A computer algorithm to discover iterative sequences of organic reactions

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Artificial Intelligence for Retrosynthetic Planning Needs Both Data and Expert Knowledge

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DFRscore: Deep Learning-Based Scoring of Synthetic Complexity with Drug-Focused Retrosynthetic Analysis for High-Throughput Virtual Screening

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Emergence of metabolic-like cycles in blockchain-orchestrated reaction networks

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Systematic, computational discovery of multicomponent and one-pot reactions

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Hierarchical Reaction Logic Enables Computational Design of Complex Peptide Syntheses

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Synthetic connectivity, emergence, and self-regeneration in the network of prebiotic chemistry

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Predicting Regioselectivity in Radical C−H Functionalization of Heterocycles through Machine Learning

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