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Human-in-the-loop assisted de novo molecular design.

I. Sundin, A. Voronov, H. Xiao, K. Papadopoulos, E. Bjerrum, M. Heinonen, A. Patronov, S. Kaski, and O. Engkvist. J. Cheminformatics, 14 (1): 86 (2022)

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Vladislava Ola

Ola Ajaj

Ola Agevall

Ola Redell

Ola Skjölaas

Other publications of authors with the same name

High-Throughput, In Silico Prediction of Aqueous Solubility Based on One- and Two-Dimensional Descriptors.O. Engkvist, and P. Wrede. Journal of Chemical Information and Computer Sciences, 42 (5): 1247-1249 (2002)Orthologue chemical space and its influence on target prediction.L. Mervin, K. Bulusu, L. Kalash, A. Afzal, F. Svensson, M. Firth, I. Barrett, O. Engkvist, and A. Bender. Bioinform., 34 (1): 72-79 (2018)Author Correction: Improving de novo molecular design with curriculum learning.J. Guo, V. Fialková, J. Arango, C. Margreitter, J. Janet, K. Papadopoulos, O. Engkvist, and A. Patronov. Nat. Mach. Intell., 4 (8): 731 (2022)Direct steering of de novo molecular generation with descriptor conditional recurrent neural networks.P. Kotsias, J. Arús-Pous, H. Chen, O. Engkvist, C. Tyrchan, and E. Bjerrum. Nat. Mach. Intell., 2 (5): 254-265 (2020)Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery.S. Bonner, I. Barrett, C. Ye, R. Swiers, O. Engkvist, and W. Hamilton. CoRR, (2021)Application of generative autoencoder in de novo molecular design.T. Blaschke, M. Olivecrona, O. Engkvist, J. Bajorath, and H. Chen. CoRR, (2017)De Novo Drug Design Using Reinforcement Learning with Graph-Based Deep Generative Models.S. Atance, J. Diez, O. Engkvist, S. Olsson, and R. Mercado. J. Chem. Inf. Model., 62 (20): 4863-4872 (2022)Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors.R. Buendía, T. Kogej, O. Engkvist, L. Carlsson, H. Linusson, U. Johansson, P. Toccaceli, and E. Ahlberg. J. Chem. Inf. Model., 59 (3): 1230-1237 (2019)ProSAR: A New Methodology for Combinatorial Library Design.H. Chen, U. Borjesson, O. Engkvist, T. Kogej, M. Svensson, N. Blomberg, D. Weigelt, J. Burrows, and T. Lange. J. Chem. Inf. Model., 49 (3): 603-614 (2009)Exploring Graph Traversal Algorithms in Graph-Based Molecular Generation.R. Mercado, E. Bjerrum, and O. Engkvist. J. Chem. Inf. Model., 62 (9): 2093-2100 (2022)

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Disambiguation of "Engkvist, Ola"

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Human-in-the-loop assisted de novo molecular design.

Please choose a person to relate this publication to

Vladislava Ola

Ola Ajaj

Ola Agevall

Ola Redell

Ola Skjölaas

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Engkvist, Ola"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Human-in-the-loop assisted de novo molecular design.

Please choose a person to relate this publication to

Vladislava Ola

Ola Ajaj

Ola Agevall

Ola Redell

Ola Skjölaas

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
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Human-in-the-loop assisted de novo molecular design.