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Alan Ka-Lun Kai on Muck Rack

Alan Ka-Lun Kai

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Articles

Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration

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By Alan Ka-Lun Kai, Antonius P A, Mike, van Westen
| arXiv
arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs.
Open in Who Shared View Duplicates (641) Issue with article?

AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application - Journal of Cheminformatics

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By Alan Ka-Lun Kai, Helmholtz Zentrum München
| link.springer.com
Abstract We present an updated overview of the AiZynthFinder package for retrosynthesis planning. Since the first version was released in 2020, we have added a substantial number of new features based on user feedback. Feature enhancements include policies for filter reactions, support for any one-step retrosynthesis model, a scoring framework and several additional search algorithms.
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Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning

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By Alan Ka-Lun Kai, Alan Kai Hassen, Samuel Genheden
| arXiv
arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs.
Open in Who Shared View Duplicates (613) Issue with article?
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