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List of works by Sara Szymkuć

A Priori Estimation of Organic Reaction Yields.

scientific article published on 21 July 2015

Automatic mapping of atoms across both simple and complex chemical reactions

scientific article published on 29 March 2019

Chematica: A Story of Computer Code That Started to Think like a Chemist

scientific article published in March 2018

Computational planning of the synthesis of complex natural products

scientific article published on 13 October 2020

Computational prediction of complex cationic rearrangement outcomes

scientific article published in Nature in November 2023

Computer-Assisted Planning of Hydroxychloroquine’s Syntheses Commencing from Inexpensive Substrates and Bypassing Patented Routes

article published in 2020

Computer-Assisted Synthetic Planning: The End of the Beginning.

scientific article

Computer-designed repurposing of chemical wastes into drugs

scientific article published on 27 April 2022

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

scientific article published on 10 June 2020

Discovery and Enumeration of Organic-Chemical and Biomimetic Reaction Cycles within the Network of Chemistry

scientific article

Efficient Syntheses of Diverse, Medicinally Relevant Targets Planned by Computer and Executed in the Laboratory

Linguistic measures of chemical diversity and the "keywords" of molecular collections

scientific article published on 15 May 2018

Predicting the outcomes of organic reactions via machine learning: are current descriptors sufficient?

scientific article

Suggestions for second-pass anti-COVID-19 drugs based on the Artificial Intelligence measures of molecular similarity, shape and pharmacophore distribution

scientific article published on 17 April 2020

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

scientific article

The logic of translating chemical knowledge into machine-processable forms: a modern playground for physical-organic chemistry

scientific article published in 2019

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