Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 1 - 20 of 509 publications

Using Chemical and Biological Data to Predict Drug Toxicity

A Liu, S Seal, H Yang, A Bender

– SLAS Discov

(2023)

S2472-5552(22)13714-7

(DOI: 10.1016/j.slasd.2022.12.003)

Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes and machine learning

H Yang, O Obrezanova, A Pointon, W Stebbeds, J Francis, KA Beattie, P Clements, JS Harvey, GF Smith, A Bender

– Toxicol Appl Pharmacol

(2022)

459,

116342

(DOI: 10.1016/j.taap.2022.116342)

Retrospective analysis of the potential use of virtual control groups in preclinical toxicity assessment using the eTOX database

PSR Wright, GF Smith, KA Briggs, R Thomas, G Maglennon, P Mikulskis, M Chapman, N Greene, BU Phillips, A Bender

– Regul Toxicol Pharmacol

(2022)

138,

105309

(DOI: 10.1016/j.yrtph.2022.105309)

Statistical analysis of preclinical inter-species concordance of histopathological findings in the eTOX database.

PSR Wright, KA Briggs, R Thomas, GF Smith, G Maglennon, P Mikulskis, M Chapman, N Greene, BU Phillips, A Bender

– Regul Toxicol Pharmacol

(2022)

138,

105308

(DOI: 10.1016/j.yrtph.2022.105308)

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

M Thomas, NM O'Boyle, A Bender, C de Graaf

– Journal of Cheminformatics

(2022)

14,

(DOI: 10.1186/s13321-022-00646-z)

scRNA-Seq-based drug repurposing targeting idiopathic pulmonary fibrosis (IPF)

A Liu, J-H Lee, N Han, A Bender

(2022)

(DOI: 10.1101/2022.09.17.508360)

Using transcriptomic data to detect, understand, and treat injury in the context of drug toxicity and fibrotic disease

A Liu

(2022)

Identification of potential biomarker candidates of drug-induced vascular injury (DIVI) in rats using gene expression and histopathology data

A Liu, J Munoz-Muriedas, A Bender, D Dalmas

(2022)

(DOI: 10.1101/2022.08.24.505120)

Integrating cell morphology with gene expression and chemical structure to aid mitochondrial toxicity detection

S Seal, J Carreras-Puigvert, M-A Trapotsi, H Yang, O Spjuth, A Bender

– Commun Biol

(2022)

858

(DOI: 10.1038/s42003-022-03763-5)

Monomerization of Homodimeric Trefoil Factor 3 (TFF3) by an Aminonitrile Compound Inhibits TFF3-Dependent Cancer Cell Survival.

V Pandey, X Zhang, H-M Poh, B Wang, D Dukanya, L Ma, Z Yin, A Bender, G Periyasamy, T Zhu, KS Rangappa, B Basappa, PE Lobie

– ACS Pharmacology & Translational Science

(2022)

761

(DOI: 10.1021/acsptsci.2c00044)

MAVEN: Compound mechanism of action analysis and visualisation using transcriptomics and compound structure data in R/Shiny

L Hosseini-Gerami, RH Ballesteros, A Liu, H Broughton, DA Collier, A Bender

(2022)

(DOI: 10.1101/2022.07.20.500792)

DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design

M García-Ortegón, GNC Simm, AJ Tripp, JM Hernández-Lobato, A Bender, S Bacallado

– Journal of chemical information and modeling

(2022)

62,

3486

(DOI: 10.1021/acs.jcim.1c01334)

Cell Morphological Profiling Enables High-Throughput Screening for PROteolysis TArgeting Chimera (PROTAC) Phenotypic Signature

M-A Trapotsi, E Mouchet, G Williams, T Monteverde, K Juhani, R Turkki, F Miljković, A Martinsson, L Mervin, KR Pryde, E Müllers, I Barrett, O Engkvist, A Bender, K Moreau

– ACS chemical biology

(2022)

17,

1733

(DOI: 10.1021/acschembio.2c000761733)

PARP inhibition is a modulator of anti-tumor immune response in BRCA-deficient tumors

AD Staniszewska, J Armenia, M King, C Michaloglou, A Reddy, M Singh, M San Martin, L Prickett, Z Wilson, T Proia, D Russell, M Thomas, O Delpuech, MJ O'Connor, E Leo, H Angell, V Valge-Archer

– OncoImmunology

(2022)

11,

2083755

(DOI: 10.1080/2162402x.2022.2083755)

Deriving time-concordant event cascades from gene expression data: A case study for Drug-Induced Liver Injury (DILI)

A Liu, N Han, J Munoz-Muriedas, A Bender

– PLoS Computational Biology

(2022)

18,

e1010148

(DOI: 10.1371/journal.pcbi.1010148)

Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation

M Thomas, NM O'Boyle, A Bender, C de Graaf

(2022)

(DOI: 10.26434/chemrxiv-2022-prz2r)

Prediction of In Vivo Pharmacokinetic Parameters and Time–Exposure Curves in Rats Using Machine Learning from the Chemical Structure

O Obrezanova, A Martinsson, T Whitehead, S Mahmoud, A Bender, F Miljković, P Grabowski, B Irwin, I Oprisiu, G Conduit, M Segall, GF Smith, B Williamson, S Winiwarter, N Greene

– Molecular Pharmaceutics

(2022)

19,

1488

(DOI: 10.1021/acs.molpharmaceut.2c00027)