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Alain C. Vaucher

swiss federal institutes of technology domain

23H指数
86论文数
2.1K被引数
收录论文 24
发表时间
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Inferring experimental procedures from text-based representations of chemical reactions (Vol 12, 2573, 2021)从文本表示的化学反应中推断实验程序 (卷 12, 2573, 2021)
errNATURE COMMUNICATIONS
IF15.7
err2024-11-18
err0
errOAAI
errVaucher, Alain C.; Geluykens, Joppe; Nair, Vishnu H.; Iuliano, Anna; Laino, Teodoro
err分享
err收藏
Leveraging infrared spectroscopy for automated structure elucidation
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2024-11-16
err1
PREAI
errAlberts, Marvin; Laino, Teodoro; Vaucher, Alain C.
err分享
err收藏
Completion of partial chemical equations
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-06-19
err1
errOAAI
errZipoli, Federico; Ayadi, Zeineb; Schwaller, Philippe; Laino, Teodoro; Vaucher, Alain C.
err分享
err收藏
Language models and protocol standardization guidelines for accelerating synthesis planning in heterogeneous catalysis用于加速非均相催化合成计划的语言模型和协议标准化指南
errNATURE COMMUNICATIONS
IF15.7
err2023-12-02
err14
errOAAI
errSuvarna, Manu; Vaucher, Alain Claude; Mitchell, Sharon; Laino, Teodoro; Perez-Ramirez, Javier
err分享
err收藏
Fast Customization of Chemical Language Models to Out-of-Distribution Data Sets
errCHEMISTRY OF MATERIALS
IF7
err2023-10-27
err1
errOAAI
errToniato, Alessandra; Vaucher, Alain C.; Lehmann, Marzena Maria; Luksch, Torsten; Schwaller, Philippe; Stenta, Marco; Laino, Teodoro
err分享
err收藏
Standardizing chemical compounds with language models用语言模型标准化化合物
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2023-08-08
err1
errOAAI
errCretu, Miruna T.; Toniato, Alessandra; Thakkar, Amol; Debabeche, Amin A.; Laino, Teodoro; Vaucher, Alain C.
err分享
err收藏
Unbiasing Retrosynthesis Language Models with Disconnection Prompts
errACS CENTRAL SCIENCE
IF10.4
err2023-07-05
err10
errOAAI
errThakkar, Amol; Vaucher, Alain C. C.; Byekwaso, Andrea; Schwaller, Philippe; Toniato, Alessandra; Laino, Teodoro
err分享
err收藏
Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with Sparrow
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-07
err13
errOAAI
errBosia, Francesco; Zheng, Peikun; Vaucher, Alain; Weymuth, Thomas; Dral, Pavlo O.; Reiher, Markus
err分享
err收藏
Designing catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions用深度生成模型和计算数据设计催化剂。Suzuki交叉偶联反应的案例研究
errDigital Discovery
IF5.6
err2023-01-01
err14
errOAAI
errSchilter, Oliver; Vaucher, Alain; Schwaller, Philippe; Laino, Teodoro
err分享
err收藏
Enhancing diversity in language based models for single-step retrosynthesis
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err8
errOAAI
errToniato, Alessandra; Vaucher, Alain C.; Schwaller, Philippe; Laino, Teodoro
err分享
err收藏
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
errDIGITAL DISCOVERY
IF5.6
err2023-01-01
err4
errOAAI
errToniato, Alessandra; Unsleber, Jan P.; Vaucher, Alain C.; Weymuth, Thomas; Probst, Daniel; Laino, Teodoro; Reiher, Markus
err分享
err收藏
Machine intelligence for chemical reaction space化学反应空间的机器智能
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2022-03-07
err57
errOAAI
errSchwaller, Philippe; Vaucher, Alain C.; Laplaza, Ruben; Bunne, Charlotte; Krause, Andreas; Corminboeuf, Clemence; Laino, Teodoro
err分享
err收藏
Grand challenges on accelerating discovery in catalysis加速催化发现的巨大挑战
errCATALYSIS TODAY
IF5.3
err2022-03-01
err8
PREAI
errToniato, Alessandra; Vaucher, Alain C.; Laino, Teodoro
err分享
err收藏
Inferring experimental procedures from text-based representations of chemical reactions
errNATURE COMMUNICATIONS
IF15.7
err2021-05-06
err43
errOAAI
errVaucher, Alain C.; Schwaller, Philippe; Geluykens, Joppe; Nair, Vishnu H.; Iuliano, Anna; Laino, Teodoro
err分享
err收藏
Prediction of chemical reaction yields using deep learning基于深度学习的化学反应产率预测
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-03-31
err203
errOAAI
errSchwaller, Philippe; Vaucher, Alain C.; Laino, Teodoro; Reymond, Jean-Louis
err分享
err收藏
Mapping the space of chemical reactions using attention-based neural networks
errNATURE MACHINE INTELLIGENCE
IF23.9
err2021-01-28
err159
errOAAI
errSchwaller, Philippe; Probst, Daniel; Vaucher, Alain C.; Nair, Vishnu H.; Kreutter, David; Laino, Teodoro; Reymond, Jean-Louis
err分享
err收藏
Automated extraction of chemical synthesis actions from experimental procedures
errNATURE COMMUNICATIONS
IF15.7
err2020-07-17
err116
errOAAI
errVaucher, Alain C.; Zipoli, Federico; Geluykens, Joppe; Nair, Vishnu H.; Schwaller, Philippe; Laino, Teodoro
err分享
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GuacaMol: Benchmarking Models for de Novo Molecular DesignGuacaMol: 从头分子设计的基准模型
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2019-03-19
err446
errOAAI
errBrown, Nathan; Fiscato, Marco; Segler, Marwin H. S.; Vaucher, Alain C.
err分享
err收藏
Minimum Energy Paths and Transition States by Curve Optimization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-04-12
err34
errOAAI
errVaucher, Alain C.; Reiher, Markus
err分享
err收藏
Integrated Reaction Path Processing from Sampled Structure Sequences
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-03-08
err13
errOAAI
errHeuer, Michael A.; Vaucher, Alain C.; Haag, Moritz P.; Reiher, Markus
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
J
Javier Pérez‐Ramírez
H 指数: 129 · 论文数: 847
A
Andreas Krause
H 指数: 83 · 论文数: 643
M
Markus Reiher
H 指数: 82 · 论文数: 663
J
Jean‐Louis Reymond
H 指数: 76 · 论文数: 738
C
Clémence Corminbœuf
H 指数: 64 · 论文数: 430
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