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Frontiers in Pharmacology
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November 22, 2018
Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction
Samuel Lampa, Jonathan Alvarsson, Staffan Arvidsson Mc Shane, et al.
Communications Biology
|
August 23, 2022
Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection
Srijit Seal, Jordi Carreras-Puigvert, Maria-Anna Trapotsi, et al.
Journal of Cheminformatics
|
July 15, 2022
Predicting protein network topology clusters from chemical structure using deep learning
Akshai P Sreenivasan, Philip J Harrison, Wesley Schaal, et al.
Journal of Cheminformatics
|
September 27, 2025
PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules
Srijit Seal, Maria-Anna Trapotsi, Manas Mahale, et al.
Journal of Cheminformatics
|
April 30, 2021
Assessing the calibration in toxicological in vitro models with conformal prediction
Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, et al.
Journal of Chemical Information and Modeling
|
April 28, 2018
Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty
Fredrik Svensson, Natalia Aniceto, Ulf Norinder, et al.
Plos One
|
June 27, 2013
A unified proteochemometric model for prediction of inhibition of cytochrome p450 isoforms
Maris Lapins, Apilak Worachartcheewan, Ola Spjuth, et al.
Journal of Chemical Information and Modeling
|
September 18, 2014
Ligand-based target prediction with signature fingerprints
Jonathan Alvarsson, Martin Eklund, Ola Engkvist, et al.
Journal of Cheminformatics
|
June 2, 2023
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, et al.
Basic & Clinical Pharmacology & Toxicology
|
May 1, 2014
Cancer biology, toxicology and alternative methods development go hand-in-hand
Pekka Kohonen, Rebecca Ceder, Ines Smit, et al.
Page
of 14
Search research articles
Search
Showing results (61-70 of 132) with videos related to
Sort By:
Page
of 14
Frontiers in Pharmacology
|
November 22, 2018
Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction
Samuel Lampa, Jonathan Alvarsson, Staffan Arvidsson Mc Shane, et al.
Communications Biology
|
August 23, 2022
Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection
Srijit Seal, Jordi Carreras-Puigvert, Maria-Anna Trapotsi, et al.
Journal of Cheminformatics
|
July 15, 2022
Predicting protein network topology clusters from chemical structure using deep learning
Akshai P Sreenivasan, Philip J Harrison, Wesley Schaal, et al.
Journal of Cheminformatics
|
September 27, 2025
PKSmart: an open-source computational model to predict intravenous pharmacokinetics of small molecules
Srijit Seal, Maria-Anna Trapotsi, Manas Mahale, et al.
Journal of Cheminformatics
|
April 30, 2021
Assessing the calibration in toxicological in vitro models with conformal prediction
Andrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, et al.
Journal of Chemical Information and Modeling
|
April 28, 2018
Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty
Fredrik Svensson, Natalia Aniceto, Ulf Norinder, et al.
Plos One
|
June 27, 2013
A unified proteochemometric model for prediction of inhibition of cytochrome p450 isoforms
Maris Lapins, Apilak Worachartcheewan, Ola Spjuth, et al.
Journal of Chemical Information and Modeling
|
September 18, 2014
Ligand-based target prediction with signature fingerprints
Jonathan Alvarsson, Martin Eklund, Ola Engkvist, et al.
Journal of Cheminformatics
|
June 2, 2023
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data
Srijit Seal, Hongbin Yang, Maria-Anna Trapotsi, et al.
Basic & Clinical Pharmacology & Toxicology
|
May 1, 2014
Cancer biology, toxicology and alternative methods development go hand-in-hand
Pekka Kohonen, Rebecca Ceder, Ines Smit, et al.
Page
of 14