Lixue Cheng
Lixue Cheng
caltech.edu üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis
M Welborn, L Cheng, TF Miller III
Journal of Chemical Theory and Computation 14 (9), 4772-4779, 2018
892018
Chemical interactions of polyethylene glycols (PEGs) and glycerol with protein functional groups: applications to effects of PEG and glycerol on protein processes
DB Knowles, IA Shkel, NM Phan, M Sternke, E Lingeman, X Cheng, ...
Biochemistry 54 (22), 3528-3542, 2015
662015
A universal density matrix functional from molecular orbital-based machine learning: Transferability across organic molecules
L Cheng, M Welborn, AS Christensen, TF Miller III
The Journal of chemical physics 150 (13), 131103, 2019
592019
Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning
L Cheng, NB Kovachki, M Welborn, TF Miller III
Journal of Chemical Theory and Computation 15 (12), 6668-6677, 2019
182019
Thermalized (350 K) QM7b, GDB-13, water, and short alkane quantum chemistry dataset including MOB-ML features
L Cheng, M Welborn, AS Christensen, TF Miller III
CaltechDATA dataset, https://doi. org/10.22002/d1 1177, 2019
52019
Thermalized (350k) QM7b, GDB-13, water, and short alkane quantum chemistry dataset including MOB-ML features, 2019
L Cheng, M Welborn, AS Christensen, TF Miller III
URL https://data. caltech. edu/records/1177, 0
5
Predicting and Interpreting the Hofmeister Effects of Different Salts with Nucleic Bases and Aromatic Compounds Using Solubility Assay
R Hong, L Cheng, Y Yao, B Knowles, Y Zhang, M Kerins, I Shkel, ...
The FASEB Journal 31 (1_supplement), 766.22-766.22, 2017
22017
Improved accuracy and transferability of molecular-orbital-based machine learning: Organics, transition-metal complexes, non-covalent interactions, and transition states
T Husch, J Sun, L Cheng, SJR Lee, TF Miller III
The Journal of Chemical Physics 154 (6), 064108, 2021
12021
Systems and Methods for Determining Molecular Structures with Molecular-Orbital-Based Features
TF Miller, MG Welborn, L Cheng, T Husch, J Song, N Kovachki, D Burov, ...
US Patent App. 16/817,489, 2020
2020
Quantifying Interactions between Biochemical Functional Groups and with Hofmeister Salt Ions in Water
X Cheng, L Cheng, I Shkel, B Knowles, E Buechel, C Molzahn, ...
Biophysical Journal 110 (3), 51a, 2016
2016
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Makaleler 1–10