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S

Sabyasachi Chakraborty

Technion Israel Institute of Technology

7H指数
39论文数
230被引数
收录论文 9
发表时间
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How local is local? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons局部性有多局部？深度学习揭示了多环芳烃诱导磁场的局部性
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-04-08
err0
errOAAI
errDavidson, Yair; Philipp, Aviad; Chakraborty, Sabyasachi; Bronstein, Alex M.
err分享
err收藏
Guided diffusion for inverse molecular design用于逆分子设计的引导扩散
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-10-05
err20
errOAAI
errWeiss, Tomer; Yanes, Eduardo Mayo; Chakraborty, Sabyasachi; Cosmo, Luca; Bronstein, Alex M.; Gershoni-Poranne, Renana
err分享
err收藏
Synthesis, anti-cancer activity and molecular docking studies of new nicotinamide containing EP4 antagonists
errJOURNAL OF MOLECULAR STRUCTURE
IF4.7
err2022-07-01
err0
PREAI
errAli, Md Akram; Chakraborty, Rajib; Mondal, Susanta Kumar; Bhunia, Supriya; Chakraborty, Sabyasachi; Samanta, Subhas; Rudra, Sonali
err分享
err收藏
The resolution-vs.-accuracy dilemma in machine learning modeling of electronic excitation spectra
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err9
errOAAI
errKayastha, Prakriti; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
Data-driven modeling of S0 → S1 excitation energy in the BODIPY chemical space: High-throughput computation, quantum machine learning, and inverse design
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-12-27
err11
errOAAI
errGupta, Amit; Chakraborty, Sabyasachi; Ghosh, Debashree; Ramakrishnan, Raghunathan
err分享
err收藏
Revving up 13C NMR shielding predictions across chemical space: benchmarks for atoms-in-molecules kernel machine learning with new data for 134 kilo molecules
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2021-05-12
err20
errOAAI
errGupta, Amit; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
Critical benchmarking of popular composite thermochemistry models and density functional approximations on a probabilistically pruned benchmark dataset of formation enthalpies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-29
err14
errOAAI
errDas, Sambit Kumar; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
Troubleshooting unstable molecules in chemical space
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err10
errOAAI
errSenthil, Salini; Chakraborty, Sabyasachi; Ramakrishnan, Raghunathan
err分享
err收藏
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-18
err21
errOAAI
errChakraborty, Sabyasachi; Kayastha, Prakriti; Ramakrishnan, Raghunathan
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Alex Bronstein
H 指数: 37 · 论文数: 260
A
Amit Gupta
H 指数: 28 · 论文数: 197
S
Subhas Samanta
H 指数: 24 · 论文数: 52
S
Susanta Mondal
H 指数: 24 · 论文数: 85
D
Debashree Ghosh
H 指数: 23 · 论文数: 126
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