Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel

Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets

(2015) Isidro Cortes-Ciriano et al.   Journal of Chemical Information and Modeling

Temperature Accelerated Molecular Dynamics with Soft-Ratcheting Criterion Orients Enhanced Sampling by Low-Resolution Information

(2015) Isidro Cortes-Ciriano et al.   Journal of Chemical Theory and Computation

Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects

(2015) Isidro Cortés-Ciriano et al.   MedChemComm

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

(2015) Isidro Cortes-Ciriano et al.   Journal of Cheminformatics

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules

(2015) Daniel S Murrell et al.   Journal of Cheminformatics

Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps

(2014) Guillaume Bouvier et al.   Journal of Chemical Information and Modeling

Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination

(2014) Ulf Norinder et al.   Journal of Chemical Information and Modeling

Integrative and Personalized QSAR Analysis in Cancer by Kernelized Bayesian Matrix Factorization

(2014) Muhammad Ammad-ud-din et al.   Journal of Chemical Information and Modeling

Computational chemogenomics: Is it more than inductive transfer?

(2014) J. B. Brown et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

A community effort to assess and improve drug sensitivity prediction algorithms

(2014) James C Costello et al.   NATURE BIOTECHNOLOGY

High Resolution Copy Number Variation Data in the NCI-60 Cancer Cell Lines from Whole Genome Microarrays Accessible through CellMiner

(2014) Sudhir Varma et al.   PLoS One

An Ensemble Based Top Performing Approach for NCI-DREAM Drug Sensitivity Prediction Challenge

(2014) Qian Wan et al.   PLoS One

Clinical drug response can be predicted using baseline gene expression levels and in vitro drug sensitivity in cell lines

(2014) Paul Geeleher et al.   GENOME BIOLOGY

The Exomes of the NCI-60 Panel: A Genomic Resource for Cancer Biology and Systems Pharmacology

(2013) O. D. Abaan et al.   CANCER RESEARCH

How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space

(2013) Alexios Koutsoukas et al.   Journal of Chemical Information and Modeling

Using Random Forest To Model the Domain Applicability of Another Random Forest Model

(2013) Robert P. Sheridan   Journal of Chemical Information and Modeling

Inconsistency in large pharmacogenomic studies

(2013) Benjamin Haibe-Kains et al.   NATURE

Metrics other than potency reveal systematic variation in responses to cancer drugs

(2013) Mohammad Fallahi-Sichani et al.   Nature Chemical Biology

Machine Learning Prediction of Cancer Cell Sensitivity to Drugs Based on Genomic and Chemical Properties

(2013) Michael P. Menden et al.   PLoS One

Global Proteome Analysis of the NCI-60 Cell Line Panel

(2013) Amin Moghaddas Gholami et al.   Cell Reports

Abstract 3499: CD56 targeted chimeric antigen receptors for immunotherapy of multiple myeloma

(2012) Reuben Benjamin et al.   CANCER RESEARCH

Systematic identification of genomic markers of drug sensitivity in cancer cells

(2012) Mathew J. Garnett et al.   NATURE

The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity

(2012) Jordi Barretina et al.   NATURE

Cell lines battle cancer

(2012) John N. Weinstein   NATURE

Cancer pharmacogenomics: strategies and challenges

(2012) Heather E. Wheeler et al.   NATURE REVIEWS GENETICS

Molecular signatures database (MSigDB) 3.0

(2011) A. Liberzon et al.   BIOINFORMATICS

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

(2010) Y. Yamanishi et al.   BIOINFORMATICS

Predicting in vitro drug sensitivity using Random Forests

(2010) Gregory Riddick et al.   BIOINFORMATICS

Exon Array Analyses across the NCI-60 Reveal Potential Regulation of TOP1 by Transcription Pausing at Guanosine Quartets in the First Intron

(2010) W. C. Reinhold et al.   CANCER RESEARCH

How accurate are cancer cell lines?

(2010) Brendan Borrell   NATURE

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

(2010) Gerard J. P. van Westen et al.   MedChemComm

Structural similarity assessment for drug sensitivity prediction in cancer

(2009) Pavithra Shivakumar et al.   BMC BIOINFORMATICS

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space

(2009) Andreas Bender et al.   Journal of Chemical Information and Modeling

DNA fingerprinting of the NCI-60 cell line panel

(2009) P. L. Lorenzi et al.   MOLECULAR CANCER THERAPEUTICS

Protein-ligand interaction prediction: an improved chemogenomics approach

(2008) Laurent Jacob et al.   BIOINFORMATICS

Virtual screening of GPCRs: An in silico chemogenomics approach

(2008) Laurent Jacob et al.   BMC BIOINFORMATICS

A modular approach for integrative analysis of large-scale gene-expression and drug-response data

(2008) Zoltán Kutalik et al.   NATURE BIOTECHNOLOGY