Karol Molga

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

Tomasz Klucznik, Barbara Mikulak-Klucznik, Michael P. McCormack et al. · Chem · 2018 · 361 citations · Full text

Computational planning of the synthesis of complex natural products

Barbara Mikulak-Klucznik, Patrycja Gołębiowska, Alison A. Bayly et al. · Nature · 2020 · 265 citations · Full text

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

Bartosz A. Grzybowski, Sara Szymkuć, Ewa Gajewska et al. · Chem · 2018 · 115 citations · Full text

Programming Language Theory, History Of Science, Engineering +8

Rapid and Accurate Prediction of p<i>K</i>_a Values of C–H Acids Using Graph Convolutional Neural Networks

Rafał Roszak, Wiktor Beker, Karol Molga et al. · Journal of the American Chemical Society · 2019 · 92 citations

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

Tomasz Badowski, Ewa Gajewska, Karol Molga et al. · Angewandte Chemie International Edition · 2019 · 79 citations