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Chekmarev, Dmitriy
18  results:
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1

Imputation of sensory properties using deep learning:

Mahmoud, Samar ; Irwin, Benedict ; Chekmarev, Dmitriy...
Journal of Computer-Aided Molecular Design.  35 (2021)  11 - p. 1125-1140 , 2021
Link: https://doi.org/10.1007/..
 
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2

Online chemical modeling environment (OCHEM): web platform ..:

Sushko, Iurii ; Novotarskyi, Sergii ; Körner, Robert...
Journal of Computer-Aided Molecular Design.  25 (2011)  6 - p. 533-554 , 2011
Link: https://doi.org/10.1007/..
 
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3

Predicting Inhibitors of Acetylcholinesterase by Regression..:

Chekmarev, Dmitriy ; Kholodovych, Vladyslav ; Kortagere, Sandhya..
Pharmaceutical Research.  26 (2009)  9 - p. 2216-2224 , 2009
Link: https://doi.org/10.1007/..
 
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4

Prediction of Protein Loop Conformations Using the AGBNP Im..:

Felts, Anthony K. ; Gallicchio, Emilio ; Chekmarev, Dmitriy...
Journal of Chemical Theory and Computation.  4 (2008)  5 - p. 855-868 , 2008
Link: https://doi.org/10.1021/..
 
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5

One-Pot Four-Component Reaction for the Generation of Pyraz..:

Stonehouse, Jeffrey ; Chekmarev, Dmitriy ; Ivanova, Natalya...
Synlett.  2008 (2008)  1 - p. 100-104 , 2008
Link: https://doi.org/10.1055/..
 
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6

Hybrid Scoring and Classification Approaches to Predict Hum..:

Kortagere, Sandhya ; Chekmarev, Dmitriy ; Welsh, William J..
Pharmaceutical Research.  26 (2008)  4 - p. 1001-1011 , 2008
Link: https://doi.org/10.1007/..
 
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7

New Predictive Models for Blood–Brain Barrier Permeability ..:

Kortagere, Sandhya ; Chekmarev, Dmitriy ; Welsh, William J..
Pharmaceutical Research.  25 (2008)  8 - p. 1836-1845 , 2008
Link: https://doi.org/10.1007/..
 
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8

Quantum Monte Carlo simulations of the structure in the liq..:

Zhao, Meishan ; Chekmarev, Dmitriy ; Rice, Stuart A.
The Journal of Chemical Physics.  108 (1998)  12 - p. 5055-5067 , 1998
Link: https://doi.org/10.1063/..
 
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9

Structure of the liquid–vapor interface of a metal from a s..:

Chekmarev, Dmitriy ; Zhao, Meishan ; Rice, Stuart A.
The Journal of Chemical Physics.  109 (1998)  2 - p. 768-778 , 1998
Link: https://doi.org/10.1063/..
 
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10

Comparison of the structures of the liquid-vapor interfaces..:

Zhao, Meishan ; Chekmarev, Dmitriy ; Rice, Stuart A.
The Journal of Chemical Physics.  109 (1998)  5 - p. 1959-1965 , 1998
Link: https://doi.org/10.1063/..
 
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11

Discovery of flavouring compounds to substitute fatty and t..:

Chekmarev, Dmitriy S. ; Da Costa, Neil C. ; Darling, Jason M....
International Journal of Food Science & Technology.  57 (2022)  9 - p. 6181-6190 , 2022
Link: https://doi.org/10.1111/..
 
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12

Shape Signatures: New Descriptors for Predicting Cardiotoxi..:

Chekmarev, Dmitriy S. ; Kholodovych, Vladyslav ; Balakin, Konstantin V....
Chemical Research in Toxicology.  21 (2008)  6 - p. 1304-1314 , 2008
Link: https://doi.org/10.1021/..
 
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13

Highly selective substitutions in 2,3-dichloropyrazine. A n..:

Chekmarev, Dmitriy S. ; Shorshnev, Sergey V. ; Stepanov, Alexander E..
Tetrahedron.  62 (2006)  42 - p. 9919-9930 , 2006
Link: https://doi.org/10.1016/..
 
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14

Highly selective mono-substitution in Pd-catalyzed cross-co..:

Chekmarev, Dmitriy S. ; Stepanov, Alexander E. ; Kasatkin, Alexander N.
Tetrahedron Letters.  46 (2005)  8 - p. 1303-1305 , 2005
Link: https://doi.org/10.1016/..
 
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15

Long-Time Conformational Transitions of Alanine Dipeptide i..:

Chekmarev, Dmitriy S. ; Ishida, Tateki ; Levy, Ronald M.
The Journal of Physical Chemistry B.  108 (2004)  50 - p. 19487-19495 , 2004
Link: https://doi.org/10.1021/..
 
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