Thomas J. Struble - Publications, H-index & Citations

Thomas J. Struble

bristol-myers squibb

12H指数

29论文数

1.3K被引数

收录论文 12

发表时间

ASKCOS: Open-Source, Data-Driven Synthesis Planning ASKCOS：开源、数据驱动的合成规划

ACCOUNTS OF CHEMICAL RESEARCH

IF17.7

2025-05-21

PREAI

Tu, Zhengkai; Choure, Sourabh J.; Fong, Mun Hong; Roh, Jihye; Levin, Itai; Yu, Kevin; Joung, Joonyoung F.; Morgan, Nathan; Li, Shih-Cheng; Sun, Xiaoqi; Lin, Huiqian; Murnin, Mark; Liles, Jordan P.; Struble, Thomas J.; Fortunato, Michael E.; Liu, Mengjie; Green, William H.; Jensen, Klavs F.; Coley, Connor W.

DFT-Based Stereochemical Rationales for the Bifunctional Bronsted Acid/Base-Catalyzed Diastereodivergent and Enantioselective aza-Henry Reactions of α-Nitro Esters

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2021-10-20

OAAI

Struble, Thomas J.; Smajlagic, Ivor; Foy, Hayden; Dudding, Travis; Johnston, Jeffrey N.

Regio-selectivity prediction with a machine-learned reaction representation and on-the-fly quantum mechanical descriptors

CHEMICAL SCIENCE

IF7.4

2021-01-01

OAAI

Guan, Yanfei; Coley, Connor W.; Wu, Haoyang; Ranasinghe, Duminda; Heid, Esther; Struble, Thomas J.; Pattanaik, Lagnajit; Green, William H.; Jensen, Klavs F.

Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-12-17

OAAI

Gao, Hanyu; Pauphilet, Jean; Struble, Thomas J.; Coley, Connor W.; Jensen, Klavs F.

Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2020-04-03

137

OAAI

Struble, Thomas J.; Alvarez, Juan C.; Brown, Scott P.; Chytil, Milan; Cisar, Justin; DesJarlais, Renee L.; Engkvist, Ola; Frank, Scott A.; Greve, Daniel R.; Griffin, Daniel J.; Hou, Xinjun; Johannes, Jeffrey W.; Kreatsoulas, Constantine; Lahue, Brian; Mathea, Miriam; Mogk, Georg; Nicolaou, Christos A.; Palmer, Andrew D.; Price, Daniel J.; Robinson, Richard, I; Salentin, Sebastian; Xing, Li; Jaakkola, Tommi; Green, William H.; Barzilay, Regina; Coley, Connor W.; Jensen, Klays F.

Identifying the roles of acid-base sites in formation pathways of tolualdehydes from acetaldehyde over MgO-based catalysts

CATALYSIS SCIENCE & TECHNOLOGY

IF4.2

2020-01-01

OAAI

Lusardi, Marcella; Struble, Thomas; Teixeira, Andrew R.; Jensen, Klavs F.

Combining retrosynthesis and mixed-integer optimization for minimizing the chemical inventory needed to realize a WHO essential medicines list

REACTION CHEMISTRY & ENGINEERING

IF3.1

2020-01-01

OAAI

Gao, Hanyu; Coley, Connor W.; Struble, Thomas J.; Li, Linyan; Qian, Yujie; Green, William H.; Jensen, Klays F.