145 related articles for article (PubMed ID: 29468427)
1. Maximizing gain in high-throughput screening using conformal prediction.
Svensson F; Afzal AM; Norinder U; Bender A
J Cheminform; 2018 Feb; 10(1):7. PubMed ID: 29468427
[TBL] [Abstract][Full Text] [Related]
2. Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors.
Buendia R; Kogej T; Engkvist O; Carlsson L; Linusson H; Johansson U; Toccaceli P; Ahlberg E
J Chem Inf Model; 2019 Mar; 59(3):1230-1237. PubMed ID: 30726080
[TBL] [Abstract][Full Text] [Related]
3. Improving Screening Efficiency through Iterative Screening Using Docking and Conformal Prediction.
Svensson F; Norinder U; Bender A
J Chem Inf Model; 2017 Mar; 57(3):439-444. PubMed ID: 28195474
[TBL] [Abstract][Full Text] [Related]
4. Folic acid supplementation and malaria susceptibility and severity among people taking antifolate antimalarial drugs in endemic areas.
Crider K; Williams J; Qi YP; Gutman J; Yeung L; Mai C; Finkelstain J; Mehta S; Pons-Duran C; Menéndez C; Moraleda C; Rogers L; Daniels K; Green P
Cochrane Database Syst Rev; 2022 Feb; 2(2022):. PubMed ID: 36321557
[TBL] [Abstract][Full Text] [Related]
5. Synergy conformal prediction applied to large-scale bioactivity datasets and in federated learning.
Norinder U; Spjuth O; Svensson F
J Cheminform; 2021 Oct; 13(1):77. PubMed ID: 34600569
[TBL] [Abstract][Full Text] [Related]
6. Modelling compound cytotoxicity using conformal prediction and PubChem HTS data.
Svensson F; Norinder U; Bender A
Toxicol Res (Camb); 2017 Jan; 6(1):73-80. PubMed ID: 30090478
[TBL] [Abstract][Full Text] [Related]
7. Changing the HTS Paradigm: AI-Driven Iterative Screening for Hit Finding.
Dreiman GHS; Bictash M; Fish PV; Griffin L; Svensson F
SLAS Discov; 2021 Feb; 26(2):257-262. PubMed ID: 32808550
[TBL] [Abstract][Full Text] [Related]
8. Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.
Paricharak S; IJzerman AP; Jenkins JL; Bender A; Nigsch F
J Chem Inf Model; 2016 Sep; 56(9):1622-30. PubMed ID: 27487177
[TBL] [Abstract][Full Text] [Related]
9. MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.
Buterez D; Janet JP; Kiddle SJ; Liò P
J Chem Inf Model; 2023 May; 63(9):2667-2678. PubMed ID: 37058588
[TBL] [Abstract][Full Text] [Related]
10. Using information from historical high-throughput screens to predict active compounds.
Riniker S; Wang Y; Jenkins JL; Landrum GA
J Chem Inf Model; 2014 Jul; 54(7):1880-91. PubMed ID: 24933016
[TBL] [Abstract][Full Text] [Related]
11. Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data.
Paricharak S; IJzerman AP; Bender A; Nigsch F
ACS Chem Biol; 2016 May; 11(5):1255-64. PubMed ID: 26878899
[TBL] [Abstract][Full Text] [Related]
12. High-Throughput Screening Assay Datasets from the PubChem Database.
Butkiewicz M; Wang Y; Bryant SH; Lowe EW; Weaver DC; Meiler J
Chem Inform; 2017; 3(1):. PubMed ID: 29795804
[TBL] [Abstract][Full Text] [Related]
13. poolHiTS: a shifted transversal design based pooling strategy for high-throughput drug screening.
Kainkaryam RM; Woolf PJ
BMC Bioinformatics; 2008 May; 9():256. PubMed ID: 18513431
[TBL] [Abstract][Full Text] [Related]
14. Combining structural and bioactivity-based fingerprints improves prediction performance and scaffold hopping capability.
Laufkötter O; Sturm N; Bajorath J; Chen H; Engkvist O
J Cheminform; 2019 Aug; 11(1):54. PubMed ID: 31396716
[TBL] [Abstract][Full Text] [Related]
15. Effectiveness and cost-effectiveness of four different strategies for SARS-CoV-2 surveillance in the general population (CoV-Surv Study): a structured summary of a study protocol for a cluster-randomised, two-factorial controlled trial.
Deckert A; Anders S; de Allegri M; Nguyen HT; Souares A; McMahon S; Boerner K; Meurer M; Herbst K; Sand M; Koeppel L; Siems T; Brugnara L; Brenner S; Burk R; Lou D; Kirrmaier D; Duan Y; Ovchinnikova S; Marx M; Kräusslich HG; Knop M; Bärnighausen T; Denkinger C
Trials; 2021 Jan; 22(1):39. PubMed ID: 33419461
[TBL] [Abstract][Full Text] [Related]
16. Defining the optimum strategy for identifying adults and children with coeliac disease: systematic review and economic modelling.
Elwenspoek MM; Thom H; Sheppard AL; Keeney E; O'Donnell R; Jackson J; Roadevin C; Dawson S; Lane D; Stubbs J; Everitt H; Watson JC; Hay AD; Gillett P; Robins G; Jones HE; Mallett S; Whiting PF
Health Technol Assess; 2022 Oct; 26(44):1-310. PubMed ID: 36321689
[TBL] [Abstract][Full Text] [Related]
17. Design of chemical libraries for screening.
Villar HO; Hansen MR
Expert Opin Drug Discov; 2009 Dec; 4(12):1215-20. PubMed ID: 23480462
[TBL] [Abstract][Full Text] [Related]
18. Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty.
Svensson F; Aniceto N; Norinder U; Cortes-Ciriano I; Spjuth O; Carlsson L; Bender A
J Chem Inf Model; 2018 May; 58(5):1132-1140. PubMed ID: 29701973
[TBL] [Abstract][Full Text] [Related]
19. Reliable Prediction Errors for Deep Neural Networks Using Test-Time Dropout.
Cortés-Ciriano I; Bender A
J Chem Inf Model; 2019 Jul; 59(7):3330-3339. PubMed ID: 31241929
[TBL] [Abstract][Full Text] [Related]
20. Advances in functional assays for high-throughput screening of ion channels targets.
Trivedi S; Liu J; Liu R; Bostwick R
Expert Opin Drug Discov; 2010 Oct; 5(10):995-1006. PubMed ID: 22823991
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]