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1

Computer-Assisted Synthetic Planning: The End of the Beginning

Szymkuć, Sara, Gajewska, Ewa P., Klucznik, Tomasz, Molga, Karol, Dittwald, Piotr, Startek, Michał, Bajczyk, Michał, Grzybowski, Bartosz A.

Journal:

Angewandte Chemie International Edition

Year:

2016

Language:

english

File:

PDF, 21.18 MB

english, 2016

2

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

Grzybowski, Bartosz A., Szymkuć, Sara, Gajewska, Ewa P., Molga, Karol, Dittwald, Piotr, Wołos, Agnieszka, Klucznik, Tomasz

Journal:

Year:

2018

Language:

english

File:

PDF, 3.81 MB

english, 2018

3

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

Bajczyk, Michał D., Dittwald, Piotr, Wołos, Agnieszka, Szymkuć, Sara, Grzybowski, Bartosz A.

Journal:

Angewandte Chemie International Edition

Year:

2018

Language:

english

File:

PDF, 2.19 MB

english, 2018

4

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

Klucznik, Tomasz, Mikulak-Klucznik, Barbara, McCormack, Michael P., Lima, Heather, Szymkuć, Sara, Bhowmick, Manishabrata, Molga, Karol, Zhou, Yubai, Rickershauser, Lindsey, Gajewska, Ewa P., Toutchkin

Journal:

Year:

2018

Language:

english

File:

PDF, 2.48 MB

english, 2018

5

Believing in Sci-Fi Science

Journal:

Year:

2020

File:

PDF, 337 KB

2020

6

Computergestützte Syntheseplanung: Das Ende vom Anfang

Szymkuć, Sara, Gajewska, Ewa P., Klucznik, Tomasz, Molga, Karol, Dittwald, Piotr, Startek, Michał, Bajczyk, Michał, Grzybowski, Bartosz A.

Journal:

Angewandte Chemie

Year:

2016

Language:

german

File:

PDF, 20.95 MB

german, 2016

7

A Priori Estimation of Organic Reaction Yields

Emami, Fateme S., Vahid, Amir, Wylie, Elizabeth K., Szymkuć, Sara, Dittwald, Piotr, Molga, Karol, Grzybowski, Bartosz A.

Journal:

Angewandte Chemie

Year:

2015

Language:

english

File:

PDF, 1.70 MB

english, 2015

8

A Priori Estimation of Organic Reaction Yields

Emami, Fateme S., Vahid, Amir, Wylie, Elizabeth K., Szymkuć, Sara, Dittwald, Piotr, Molga, Karol, Grzybowski, Bartosz A.

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 1.72 MB

english, 2015

9

ChemInform Abstract: Computer-Assisted Synthetic Planning: The End of the Beginning

Szymkuc, Sara, Gajewska, Ewa P., Klucznik, Tomasz, Molga, Karol, Dittwald, Piotr, Startek, Michal, Bajczyk, Michal, Grzybowski, Bartosz A.

Journal:

Year:

2016

File:

PDF, 16 KB

2016

10

Linguistic measures of chemical diversity and the “keywords” of molecular collections

Woźniak, Michał, Wołos, Agnieszka, Modrzyk, Urszula, Górski, Rafał L., Winkowski, Jan, Bajczyk, Michał, Szymkuć, Sara, Grzybowski, Bartosz A., Eder, Maciej

Journal:

Scientific Reports

Year:

2018

Language:

english

File:

PDF, 2.06 MB

english, 2018

11

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

Bajczyk, Michał D., Dittwald, Piotr, Wołos, Agnieszka, Szymkuć, Sara, Grzybowski, Bartosz A.

Journal:

Angewandte Chemie

Year:

2018

Language:

english

File:

PDF, 3.75 MB

english, 2018

12

Automatic mapping of atoms across both simple and complex chemical reactions

Jaworski, Wojciech, Szymkuć, Sara, Mikulak-Klucznik, Barbara, Piecuch, Krzysztof, Klucznik, Tomasz, Kaźmierowski, Michał, Rydzewski, Jan, Gambin, Anna, Grzybowski, Bartosz A.

Journal:

Nature Communications

Year:

2019

Language:

english

File:

PDF, 1.07 MB

english, 2019

13

Algorithmic Discovery of Tactical Combinations for Advanced Organic Syntheses

Gajewska, Ewa P., Szymkuć, Sara, Dittwald, Piotr, Startek, Michał, Popik, Oskar, Mlynarski, Jacek, Grzybowski, Bartosz A.

Journal:

Year:

2019

File:

PDF, 3.66 MB

2019

14

Computer-generated âsynthetic contingencyâ plans at times of logistics and supply problems: Scenarios for hydroxychloroquine and remdesivir

Szymkuc, Sara, Gajewska, Ewa, Molga, Karol, Wolos, Agnieszka, Roszak, Rafal, Beker, Wiktor, Moskal, Martyna, Dittwald, Piotr, Grzybowski, Bartosz Andrzej

Journal:

Chemical Science

Year:

2020

File:

PDF, 2.20 MB

2020

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