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Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery.

E. Ahlberg, S. Winiwarter, H. Boström, H. Linusson, T. Löfström, U. Norinder, U. Johansson, O. Engkvist, O. Hammar, C. Bendtsen, and L. Carlsson. COPA, volume 60 of Proceedings of Machine Learning Research, page 174-184. PMLR, (2017)

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Vladislava Ola

Ola Ajaj

Ola Agevall

Ola Redell

Ola Skjölaas

Other publications of authors with the same name

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)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)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)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)Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models.J. Conn, J. Carter, J. Conn, V. Subramanian, A. Baxter, O. Engkvist, A. Llinàs, E. Ratkova, S. Pickett, J. McDonagh and 1 other author(s). J. Chem. Inf. Model., 63 (4): 1099-1113 (February 2023)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)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)

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Disambiguation of "Engkvist, Ola"

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Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery.

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 Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery.

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
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Using Conformal Prediction to Prioritize Compound Synthesis in Drug Discovery.