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List of works by Karol Molga

A Priori Estimation of Organic Reaction Yields.

scientific article published on 21 July 2015

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

scientific article published in March 2018

Computational design of syntheses leading to compound libraries or isotopically labelled targets

scientific article published on 16 August 2019

Computational planning of the synthesis of complex natural products

scientific article published on 13 October 2020

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

scientific article published on 10 June 2020

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

Navigating around Patented Routes by Preserving Specific Motifs along Computer-Planned Retrosynthetic Pathways

scientific article published in February 2019

Rapid and Accurate Prediction of pKa Values of C-H Acids Using Graph Convolutional Neural Networks

scientific article published on 21 October 2019

Selection of cost-effective yet chemically diverse pathways from the networks of computer-generated retrosynthetic plans

scientific article published on 01 March 2019

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

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

scientific article published on 21 November 2019

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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