Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. / Buendia, Ruben; Kogej, Thierry; Engkvist, Ola; Carlsson, Lars; Linusson, Henrik; Johansson, Ulf; Toccaceli, Paolo; Ahlberg, Ernst.

In: Journal of Chemical Information and Modeling, Vol. 59, 3, 25.03.2019, p. 1230-1237.

Research output: Contribution to journalArticlepeer-review

Published

Standard

Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. / Buendia, Ruben; Kogej, Thierry; Engkvist, Ola; Carlsson, Lars; Linusson, Henrik; Johansson, Ulf; Toccaceli, Paolo; Ahlberg, Ernst.

In: Journal of Chemical Information and Modeling, Vol. 59, 3, 25.03.2019, p. 1230-1237.

Research output: Contribution to journalArticlepeer-review

Harvard

Buendia, R, Kogej, T, Engkvist, O, Carlsson, L, Linusson, H, Johansson, U, Toccaceli, P & Ahlberg, E 2019, 'Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors', Journal of Chemical Information and Modeling, vol. 59, 3, pp. 1230-1237. https://doi.org/10.1021/acs.jcim.8b00724

APA

Buendia, R., Kogej, T., Engkvist, O., Carlsson, L., Linusson, H., Johansson, U., Toccaceli, P., & Ahlberg, E. (2019). Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. Journal of Chemical Information and Modeling, 59, 1230-1237. [3]. https://doi.org/10.1021/acs.jcim.8b00724

Vancouver

Buendia R, Kogej T, Engkvist O, Carlsson L, Linusson H, Johansson U et al. Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. Journal of Chemical Information and Modeling. 2019 Mar 25;59:1230-1237. 3. https://doi.org/10.1021/acs.jcim.8b00724

Author

Buendia, Ruben ; Kogej, Thierry ; Engkvist, Ola ; Carlsson, Lars ; Linusson, Henrik ; Johansson, Ulf ; Toccaceli, Paolo ; Ahlberg, Ernst. / Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors. In: Journal of Chemical Information and Modeling. 2019 ; Vol. 59. pp. 1230-1237.

BibTeX

@article{86a0d7abe7e949ada57c2640d05db761,
title = "Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors",
keywords = "HTS, High Throughput Screening, Drug Discovery, Probabilistic Prediction",
author = "Ruben Buendia and Thierry Kogej and Ola Engkvist and Lars Carlsson and Henrik Linusson and Ulf Johansson and Paolo Toccaceli and Ernst Ahlberg",
year = "2019",
month = mar,
day = "25",
doi = "10.1021/acs.jcim.8b00724",
language = "English",
volume = "59",
pages = "1230--1237",
journal = "Journal of Chemical Information and Modeling",
issn = "1549-9596",
publisher = "ACS",

}

RIS

TY - JOUR

T1 - Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors

AU - Buendia, Ruben

AU - Kogej, Thierry

AU - Engkvist, Ola

AU - Carlsson, Lars

AU - Linusson, Henrik

AU - Johansson, Ulf

AU - Toccaceli, Paolo

AU - Ahlberg, Ernst

PY - 2019/3/25

Y1 - 2019/3/25

KW - HTS, High Throughput Screening, Drug Discovery, Probabilistic Prediction

U2 - 10.1021/acs.jcim.8b00724

DO - 10.1021/acs.jcim.8b00724

M3 - Article

VL - 59

SP - 1230

EP - 1237

JO - Journal of Chemical Information and Modeling

JF - Journal of Chemical Information and Modeling

SN - 1549-9596

M1 - 3

ER -