mlsanityData to 14 Oct 2026

Developing an AI Course for Synthetic Chemistry Students

arXiv 2511.18244 ↗First posted 23 Nov 2025cs.AI cond-mat.mtrl-sci physics.ed-phcited by 0

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Abstract (arXiv)

Artificial intelligence (AI) and data science are transforming chemical research, yet few formal courses are tailored to synthetic and experimental chemists, who often face steep entry barriers due to limited coding experience and lack of chemistry-specific examples. We present the design and implementation of AI4CHEM, an introductory data-driven chem-istry course created for students on the synthetic chemistry track with no prior programming background. The curricu-lum emphasizes chemical context over abstract algorithms, using an accessible web-based platform to ensure zero-install machine learning (ML) workflow development practice and in-class active learning. Assessment combines code-guided homework, literature-based mini-reviews, and collaborative projects in which students build AI-assisted workflows for real experimental problems. Learning gains include increased confidence with Python, molecular property prediction, reaction optimization, and data mining, and improved skills in evaluating AI tools in chemistry. All course materials are openly available, offering a discipline-specific, beginner-accessible framework for integrating AI into synthetic chemistry training.

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References · 12

  1. 2021Learning Transferable Visual Models From Natural Language Supervisioncited by 33,744
  2. 2019PyTorch: An Imperative Style, High-Performance Deep Learning Librarycited by 20,305
  3. 2017Neural Message Passing for Quantum Chemistrycited by 3,487
  4. 2016Automatic chemical design using a data-driven continuous representation of moleculescited by 765
  5. 2023ChemCrow: Augmenting large-language models with chemistry toolscited by 631
  6. 2019Analyzing Learned Molecular Representations for Property Predictioncited by 375
  7. 2018Molecular Transformer - A Model for Uncertainty-Calibrated Chemical Reaction Predictioncited by 229
  8. 2016Learning Visual N-Grams from Web Datacited by 95
  9. 2020The Synthesizability of Molecules Proposed by Generative Modelscited by 68
  10. 2023ChatGPT Chemistry Assistant for Text Mining and Prediction of MOF Synthesiscited by 51
  11. 2023A GPT-4 Reticular Chemist for Guiding MOF Discoverycited by 9
  12. 2025The Rise of Generative AI for Metal-Organic Framework Design and Synthesiscited by 6

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