E-LIB Suche - Ergebnisse für: Valery Tkachenko

1

Free and open-source QSAR-ready workflow for automated stan..:

Mansouri, Kamel ; Moreira-Filho, José T. ; Lowe, Charles N....
Journal of Cheminformatics. 16 (2024) 1 - p. , 2024

Link: https://doi.org/10.1186/..

2

Correction to "Comparing and Validating Machine Learning Mo..:

Lane, Thomas ; Russo, Daniel P. ; Zorn, Kimberley M....
Molecular Pharmaceutics. 18 (2021) 7 - p. 2833-2833 , 2021

Link: https://doi.org/10.1021/..

3

Size Doesn't Matter: Predicting Physico- or Biochemical Pro..:

Karpov, Kirill ; Mitrofanov, Artem ; Korolev, Vadim.
The Journal of Physical Chemistry Letters. 12 (2021) 38 - p. 9213-9219 , 2021

Link: https://doi.org/10.1021/..

4

Deep Learning Insights into Lanthanides Complexation Chemis..:

Mitrofanov, Artem A. ; Matveev, Petr I. ; Yakubova, Kristina V....
Molecules. 26 (2021) 11 - p. 3237 , 2021

Link: https://doi.org/10.3390/..

5

Machine Learning Models for Mycobacterium tuberculosisIn Vi..:

Lane, Thomas R. ; Urbina, Fabio ; Rank, Laura...
Molecular Pharmaceutics. 19 (2021) 2 - p. 674-689 , 2021

Link: https://doi.org/10.1021/..

6

Machine-learning-assisted search for functional materials o..:

Korolev, Vadim ; Mitrofanov, Artem ; Eliseev, Artem.
Materials Horizons. 7 (2020) 10 - p. 2710-2718 , 2020

Link: https://doi.org/10.1039/..

7

Transferable and Extensible Machine Learning-Derived Atomic..:

Korolev, Vadim V. ; Mitrofanov, Artem ; Marchenko, Ekaterina I....
Chemistry of Materials. 32 (2020) 18 - p. 7822-7831 , 2020

Link: https://doi.org/10.1021/..

8

Open-source QSAR models for pKa prediction using multiple m..:

Mansouri, Kamel ; Cariello, Neal F. ; Korotcov, Alexandru...
Journal of Cheminformatics. 11 (2019) 1 - p. , 2019

Link: https://doi.org/10.1186/..

9

Graph Convolutional Neural Networks as "General-Purpose" Pr..:

Korolev, Vadim ; Mitrofanov, Artem ; Korotcov, Alexandru.
Journal of Chemical Information and Modeling. 60 (2019) 1 - p. 22-28 , 2019

Link: https://doi.org/10.1021/..

10

Comparing and Validating Machine Learning Models for Mycoba..:

Lane, Thomas ; Russo, Daniel P. ; Zorn, Kimberley M....
Molecular Pharmaceutics. 15 (2018) 10 - p. 4346-4360 , 2018

Link: https://doi.org/10.1021/..

11

Comparison of Deep Learning With Multiple Machine Learning ..:

Korotcov, Alexandru ; Tkachenko, Valery ; Russo, Daniel P..
Molecular Pharmaceutics. 14 (2017) 12 - p. 4462-4475 , 2017

Link: https://doi.org/10.1021/..

12

High-performance integrated virtual environment (HIVE): a r..:

Simonyan, Vahan ; Chumakov, Konstantin ; Dingerdissen, Hayley...
Database. 2016 (2016) - p. baw022 , 2016

Link: https://doi.org/10.1093/..

13

Programmatic conversion of crystal structures into 3D print..:

Scalfani, Vincent F. ; Williams, Antony J. ; Tkachenko, Valery...
Journal of Cheminformatics. 8 (2016) 1 - p. , 2016

Link: https://doi.org/10.1186/..

14

The Chemical Validation and Standardization Platform (CVSP)..:

Karapetyan, Karen ; Batchelor, Colin ; Sharpe, David..
Journal of Cheminformatics. 7 (2015) 1 - p. , 2015

Link: https://doi.org/10.1186/..

15

The Royal Society of Chemistry and the delivery of chemistr..:

Williams, Antony ; Tkachenko, Valery
Journal of Computer-Aided Molecular Design. 28 (2014) 10 - p. 1023-1030 , 2014

Link: https://doi.org/10.1007/..