Tim Cernak

Affiliations

Department of Medicinal Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States.

ORCID: 0000-0001-5407-0643

Publications (18)

Medicinal Chemistry Gone Wild.

Journal of medicinal chemistry

Avec: Tesko Chaganti , Chun-Yi Tsai , Yu-Pu Juang , Mohamed Abdelalim , Tim Cernak

Exploring the combinatorial explosion of amine-acid reaction space via graph editing.

Communications chemistry

Avec: Rui Zhang , Babak Mahjour , Andrew Outlaw , Andrew McGrath , Tim Hopper , Brian Kelley , W Patrick Walters , Tim Cernak

A map of the amine-carboxylic acid coupling system.

Nature

Avec: Babak Mahjour , Yuning Shen , Wenbo Liu , Tim Cernak

Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization.

Bioorganic & medicinal chemistry letters

Avec: Kun Liu , Ravi Kurukulasuriya , Kevin Dykstra , Lisa DiMichelle , Jinchu Liu , Petr Vachal , Anthony Ogawa , Robert J DeVita , Dong-Ming Shen , Qiang Tan , Yili Chen , Don Gauthier , Andreas Verras , Alejandro Crespo , Beata Zamlynny , Jeffrey Madwed , Maarten Hoek , Thomas Bateman , Yun-Fang Yang , K N Houk , Shane Krska , Tim Cernak

Ultrahigh-Throughput Experimentation for Information-Rich Chemical Synthesis.

Accounts of chemical research

Avec: Babak Mahjour , Yuning Shen , Tim Cernak

Machine Learning Strategies for Reaction Development: Toward the Low-Data Limit.

Journal of chemical information and modeling

Avec: Eunjae Shim , Ambuj Tewari , Tim Cernak , Paul M Zimmerman

Pharmaceutical diversification via palladium oxidative addition complexes.

Science (New York, N.Y.)

Avec: Mycah R Uehling , Ryan P King , Shane W Krska , Tim Cernak , Stephen L Buchwald

Development of copper-catalyzed deaminative esterification using high-throughput experimentation.

Communications chemistry

Avec: Yuning Shen , Babak Mahjour , Tim Cernak

Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp

Journal of the American Chemical Society

Avec: James L Douthwaite , Ruheng Zhao , Eunjae Shim , Babak Mahjour , Paul M Zimmerman , Tim Cernak

Can Machine Learning Overcome the 95% Failure Rate and Reality that Only 30% of Approved Cancer Drugs Meaningfully Extend Patient Survival?

Journal of medicinal chemistry

Avec: Duxin Sun , Christian Macedonia , Zhigang Chen , Sriram Chandrasekaran , Kayvan Najarian , Simon Zhou , Tim Cernak , Vicki L Ellingrod , H V Jagadish , Bernard Marini , Manjunath Pai , Angela Violi , Jason C Rech , Shaomeng Wang , Yan Li , Brian Athey , Gilbert S Omenn

Impact of C-H Cross-Coupling Reactions in the One-Step Retrosynthesis of Drug Molecules.

The Journal of organic chemistry

Avec: Babak Mahjour , Kaitlyn M Flynn , Shannon S Stahl , Tim Cernak

The Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp

Angewandte Chemie (International ed. in English)

Avec: Zirong Zhang , Tim Cernak

Reinforcing the supply chain of umifenovir and other antiviral drugs with retrosynthetic software.

Nature communications

Avec: Yingfu Lin , Zirong Zhang , Babak Mahjour , Di Wang , Rui Zhang , Eunjae Shim , Andrew McGrath , Yuning Shen , Nadia Brugger , Rachel Turnbull , Sarah Trice , Shashi Jasty , Tim Cernak

Predicting reaction conditions from limited data through active transfer learning.

Chemical science

Avec: Eunjae Shim , Joshua A Kammeraad , Ziping Xu , Ambuj Tewari , Tim Cernak , Paul M Zimmerman

Computer-aided key step generation in alkaloid total synthesis.

Science (New York, N.Y.)

Avec: Yingfu Lin , Rui Zhang , Di Wang , Tim Cernak

Repurposing amine and carboxylic acid building blocks with an automatable esterification reaction.

Chemical communications (Cambridge, England)

Avec: Andrew McGrath , Rui Zhang , Khadija Shafiq , Tim Cernak

Rapid planning and analysis of high-throughput experiment arrays for reaction discovery.

Nature communications

Avec: Babak Mahjour , Rui Zhang , Yuning Shen , Andrew McGrath , Ruheng Zhao , Osama G Mohamed , Yingfu Lin , Zirong Zhang , James L Douthwaite , Ashootosh Tripathi , Tim Cernak

Late-Stage Saturation of Drug Molecules.

Journal of the American Chemical Society

Avec: De-Hai Liu , Philipp M Pflüger , Andrew Outlaw , Lukas Lückemeier , Fuhao Zhang , Clinton Regan , Hamid Rashidi Nodeh , Tim Cernak , Jiajia Ma , Frank Glorius

Réseau de co-auteurs

Babak Mahjour 8 collaborations

Rui Zhang 5 collaborations

Yuning Shen 5 collaborations

Andrew McGrath 4 collaborations

Eunjae Shim 4 collaborations

Paul M Zimmerman 3 collaborations

Zirong Zhang 3 collaborations

Yingfu Lin 3 collaborations

Andrew Outlaw 2 collaborations

Ambuj Tewari 2 collaborations

James L Douthwaite 2 collaborations

Ruheng Zhao 2 collaborations

Di Wang 2 collaborations

Tesko Chaganti 1 collaboration

Chun-Yi Tsai 1 collaboration

Yu-Pu Juang 1 collaboration

Mohamed Abdelalim 1 collaboration

Tim Hopper 1 collaboration

Brian Kelley 1 collaboration

W Patrick Walters 1 collaboration

Wenbo Liu 1 collaboration

Kun Liu 1 collaboration

Ravi Kurukulasuriya 1 collaboration

Kevin Dykstra 1 collaboration

Lisa DiMichelle 1 collaboration

Jinchu Liu 1 collaboration

Petr Vachal 1 collaboration

Anthony Ogawa 1 collaboration

Robert J DeVita 1 collaboration

Dong-Ming Shen 1 collaboration

Qiang Tan 1 collaboration

Yili Chen 1 collaboration

Don Gauthier 1 collaboration

Andreas Verras 1 collaboration

Alejandro Crespo 1 collaboration

Beata Zamlynny 1 collaboration

Jeffrey Madwed 1 collaboration

Maarten Hoek 1 collaboration

Thomas Bateman 1 collaboration

Yun-Fang Yang 1 collaboration

K N Houk 1 collaboration

Shane Krska 1 collaboration

Mycah R Uehling 1 collaboration

Ryan P King 1 collaboration

Shane W Krska 1 collaboration

Stephen L Buchwald 1 collaboration

Duxin Sun 1 collaboration

Christian Macedonia 1 collaboration

Zhigang Chen 1 collaboration

Sriram Chandrasekaran 1 collaboration

Kayvan Najarian 1 collaboration

Simon Zhou 1 collaboration

Vicki L Ellingrod 1 collaboration

H V Jagadish 1 collaboration

Bernard Marini 1 collaboration

Manjunath Pai 1 collaboration

Angela Violi 1 collaboration

Jason C Rech 1 collaboration

Shaomeng Wang 1 collaboration

Yan Li 1 collaboration

Brian Athey 1 collaboration

Gilbert S Omenn 1 collaboration

Kaitlyn M Flynn 1 collaboration

Shannon S Stahl 1 collaboration

Nadia Brugger 1 collaboration

Rachel Turnbull 1 collaboration

Sarah Trice 1 collaboration

Shashi Jasty 1 collaboration

Joshua A Kammeraad 1 collaboration

Ziping Xu 1 collaboration

Khadija Shafiq 1 collaboration

Osama G Mohamed 1 collaboration

Ashootosh Tripathi 1 collaboration

De-Hai Liu 1 collaboration

Philipp M Pflüger 1 collaboration

Lukas Lückemeier 1 collaboration

Fuhao Zhang 1 collaboration

Clinton Regan 1 collaboration

Hamid Rashidi Nodeh 1 collaboration

Jiajia Ma 1 collaboration

Frank Glorius 1 collaboration