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OLEXANDR ISAYEV
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Name
Affiliation
Papers
OLEXANDR ISAYEV
Case Western Reserve Univ, Dept Chem, Cleveland, OH 44106 USA
9
Collaborators
Citations
PageRank
24
19
4.26
Referers
Referees
References
88
108
17
Search Limit
100
108
Publications (9 rows)
Collaborators (24 rows)
Referers (88 rows)
Referees (100 rows)
Title
Citations
PageRank
Year
Openchem: A Deep Learning Toolkit For Computational Chemistry And Drug Design
1
0.35
2021
TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials.
1
0.34
2020
Inter-Modular Linkers play a crucial role in governing the biosynthesis of non-ribosomal peptides.
0
0.34
2019
MolecularRNN: Generating realistic molecular graphs with optimized properties.
3
0.39
2019
Less Is More: Sampling Chemical Space With Active Learning
8
0.57
2018
ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules.
0
0.34
2017
Are The Reduction And Oxidation Properties Of Nitrocompounds Dissolved In Water Different From Those Produced When Adsorbed On A Silica Surface? A Dft M05-2x Computational Study
1
0.41
2015
Toward Robust Computational Electrochemical Predicting The Environmental Fate Of Organic Pollutants
4
1.15
2011
Theoretical calculations: can Gibbs free energy for intermolecular complexes be predicted efficiently and accurately?
1
0.36
2007
1