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M

Matteo Aldeghi

Bayer

28H指数
74论文数
5.0K被引数
收录论文 40
发表时间
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Machine learning-assisted exploration of multidrug-drug administration regimens for organoid arrays机器学习辅助的类器官阵列多药给药方案探索
errScience Advances
IF12.5
err2025-07-30
err0
PREAI
errIlya Yakavets; Sina Kheiri; Jennifer Cruickshank; Riley J. Hickman; Faeze Rakhshani; Matteo Aldeghi; Ella M. Rajaonson; Edmond W.K. Young; Alán Aspuru-Guzik; David W. Cescon; Eugenia Kumacheva
err分享
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Anubis: Bayesian optimization with unknown feasibility constraints for scientific experimentationAnubis：面向科学实验的、具有未知可行性约束的贝叶斯优化
errDigital Discovery
IF5.6
err2025-07-26
err0
errOAAI
errRiley J. Hickman; Gary Tom; Yunheng Zou; Matteo Aldeghi ‡; Alán Aspuru-Guzik
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A call for an industry-led initiative to critically assess machine learning for real-world drug discovery呼吁行业主导的倡议，批判性地评估机器学习在现实世界中的药物发现
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-10-04
err0
PREAI
errWognum, Cas; Ash, Jeremy R.; Aldeghi, Matteo; Rodriguez-Perez, Raquel; Fang, Cheng; Cheng, Alan C.; Price, Daniel J.; Clevert, Djork-Arne; Engkvist, Ola; Walters, W. Patrick
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Atlas: a brain for self-driving laboratories
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errHickman, Riley J.; Sim, Malcolm; Pablo-Garcia, Sergio; Tom, Gary; Woolhouse, Ivan; Hao, Han; Bao, Zeqing; Bannigan, Pauric; Allen, Christine; Aldeghi, Matteo; Aspuru-Guzik, Alan
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Roughness of Molecular Property Landscapes and Its Impact on Modellability
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-09-16
err25
errOAAI
errAldeghi, Matteo; Graff, David E.; Frey, Nathan; Morrone, Joseph A.; Pyzer-Knapp, Edward O.; Jordan, Kirk E.; Coley, Connor W.
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Self-Focusing Virtual Screening with Active Design Space Pruning
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-08-06
err17
errOAAI
errGraff, David E.; Aldeghi, Matteo; Morrone, Joseph A.; Jordan, Kirk E.; Pyzer-Knapp, Edward O.; Coley, Connor W.
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A graph representation of molecular ensembles for polymer property prediction用于聚合物性能预测的分子集合的图形表示
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err70
errOAAI
errAldeghi, Matteo; Coley, Connor W.
err分享
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A focus on simulation and machine learning as complementary tools for chemical space navigation
errCHEMICAL SCIENCE
IF7.4
err2022-01-01
err7
errOAAI
errAldeghi, Matteo; Coley, Connor W.
err分享
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Bayesian optimization with known experimental and design constraints for chemistry applications
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err23
errOAAI
errHickman, Riley J.; Aldeghi, Matteo; Hase, Florian; Aspuru-Guzik, Alan
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Self-Driving Platform for Metal Nanoparticle Synthesis: Combining Microfluidics and Machine Learning用于金属纳米颗粒合成的自驱动平台: 结合微流体和机器学习
errADVANCED FUNCTIONAL MATERIALS
IF19
err2021-09-15
err76
errOAAI
errTao, Huachen; Wu, Tianyi; Kheiri, Sina; Aldeghi, Matteo; Aspuru-Guzik, Alan; Kumacheva, Eugenia
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Machine learning directed drug formulation development机器学习指导的药物制剂开发
errADVANCED DRUG DELIVERY REVIEWS
IF17.6
err2021-08-01
err123
PREAI
errBannigan, Pauric; Aldeghi, Matteo; Bao, Zeqing; Hase, Florian; Aspuru-Guzik, Alan; Allen, Christine
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Gryffin: An algorithm for Bayesian optimization of categorical variables informed by expert knowledgeGryffin: 一种基于专家知识的分类变量贝叶斯优化算法
errAPPLIED PHYSICS REVIEWS
IF11.6
err2021-07-15
err89
errOAAI
errHaese, Florian; Aldeghi, Matteo; Hickman, Riley J.; Roch, Loic M.; Aspuru-Guzik, Alan
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Nanoparticle synthesis assisted by machine learning机器学习辅助的纳米粒子合成
errNATURE REVIEWS MATERIALS
IF86.2
err2021-07-13
err261
PREAI
errTao, Huachen; Wu, Tianyi; Aldeghi, Matteo; Wu, Tony C.; Aspuru-Guzik, Alan; Kumacheva, Eugenia
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Olympus: a benchmarking framework for noisy optimization and experiment planning
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-07-12
err54
errOAAI
errHase, Florian; Aldeghi, Matteo; Hickman, Riley J.; Roch, Loic M.; Christensen, Melodie; Liles, Elena; Hein, Jason E.; Aspuru-Guzik, Alan
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Assigning confidence to molecular property prediction
errEXPERT OPINION ON DRUG DISCOVERY
IF4.9
err2021-06-15
err38
errOAAI
errNigam, AkshatKumar; Pollice, Robert; Hurley, Matthew F. D.; Hickman, Riley J.; Aldeghi, Matteo; Yoshikawa, Naruki; Chithrananda, Seyone; Voelz, Vincent A.; Aspuru-Guzik, Alan
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Accurate absolute free energies for ligand-protein binding based on non-equilibrium approaches
errCOMMUNICATIONS CHEMISTRY
IF6.2
err2021-05-11
err67
errOAAI
errGapsys, Vytautas; Yildirim, Ahmet; Aldeghi, Matteo; Khalak, Yuriy; van der Spoel, David; de Groot, Bert L.
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Data-Driven Strategies for Accelerated Materials Design加速材料设计的数据驱动策略
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2021-02-02
err212
errOAAI
errPollice, Robert; Gomes, Gabriel dos Passos; Aldeghi, Matteo; Hickman, Riley J.; Krenn, Mario; Lavigne, Cyrille; Lindner-D'Addario, Michael; Nigam, AkshatKumar; Ser, Cher Tian; Yao, Zhenpeng; Aspuru-Guzik, Alan
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Alchemical absolute protein-ligand binding free energies for drug design
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err52
errOAAI
errKhalak, Y.; Tresadern, G.; Aldeghi, M.; Baumann, H. M.; Mobley, D. L.; de Groot, B. L.; Gapsys, V
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Golem: an algorithm for robust experiment and process optimization
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err19
errOAAI
errAldeghi, Matteo; Hase, Florian; Hickman, Riley J.; Tamblyn, Isaac; Aspuru-Guzik, Alan
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Structural basis for antibiotic action of the B1 antivitamin 2′-methoxy-thiamine
errNATURE CHEMICAL BIOLOGY
IF13.7
err2020-08-24
err17
errOAAI
errRabe von Pappenheim, Fabian; Aldeghi, Matteo; Shome, Brateen; Begley, Tadhg; de Groot, Bert L.; Tittmann, Kai
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研究方向

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合作学者
合作期刊
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 939
S
Stefan Knapp
H 指数: 111 · 论文数: 1.3K
E
Eugenia Kumacheva
H 指数: 87 · 论文数: 347
M
Michael K. Gilson
H 指数: 83 · 论文数: 411
V
Vadim Cherezov
H 指数: 81 · 论文数: 306
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