Publications by authors named "Florian Nigsch"

39 Publications

Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.

J Chem Inf Model 2016 09 16;56(9):1622-30. Epub 2016 Aug 16.

Developmental & Molecular Pathways, Novartis Institutes for BioMedical Research , Novartis Pharma AG, Novartis Campus, 4056 Basel, Switzerland.

View Article and Find Full Text PDF
September 2016

Evidence-Based and Quantitative Prioritization of Tool Compounds in Phenotypic Drug Discovery.

Cell Chem Biol 2016 07 14;23(7):862-874. Epub 2016 Jul 14.

Novartis Institutes for BioMedical Research Inc., 250 Massachusetts Avenue, Cambridge, MA 02139, USA. Electronic address:

View Article and Find Full Text PDF
July 2016

Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data.

ACS Chem Biol 2016 05 26;11(5):1255-64. Epub 2016 Feb 26.

Novartis Institutes for BioMedical Research, Novartis Pharma AG , Novartis Campus, 4056 Basel, Switzerland.

View Article and Find Full Text PDF
May 2016

Causal Network Models for Predicting Compound Targets and Driving Pathways in Cancer.

J Biomol Screen 2014 Jun 11;19(5):791-802. Epub 2014 Feb 11.

Developmental & Molecular Pathways, Novartis Institutes for BioMedical Research, Inc., Cambridge, MA, USA.

View Article and Find Full Text PDF
June 2014

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

ACS Chem Biol 2012 Aug 31;7(8):1399-409. Epub 2012 May 31.

Center for Proteomic Chemistry, Novartis Institutes for Biomedical Research Inc., 250 Massachusetts Avenue, Cambridge, MA 02139, USA.

View Article and Find Full Text PDF
August 2012

Determination of minimal transcriptional signatures of compounds for target prediction.

EURASIP J Bioinform Syst Biol 2012 May 10;2012(1). Epub 2012 May 10.

Developmental and Molecular Pathways, Novartis Institutes for BioMedical Research, Forum 1, Novartis Campus Basel, CH-4056, Basel, Switzerland.

View Article and Find Full Text PDF
May 2012

Predicting the mechanism of phospholipidosis.

J Cheminform 2012 Jan 26;4. Epub 2012 Jan 26.

Biomedical Sciences Research Complex and EaStCHEM School of Chemistry, Purdie Building, University of St Andrews, North Haugh, St Andrews, Scotland KY16 9ST, UK.

View Article and Find Full Text PDF
January 2012

Activity-aware clustering of high throughput screening data and elucidation of orthogonal structure-activity relationships.

J Chem Inf Model 2011 Dec 7;51(12):3158-68. Epub 2011 Dec 7.

Novartis Institutes for Biomedical Research, 250 Massachusetts Ave., Cambridge, Massachusetts 02139, USA.

View Article and Find Full Text PDF
December 2011

Computational methods for early predictive safety assessment from biological and chemical data.

Expert Opin Drug Metab Toxicol 2011 Dec 4;7(12):1497-511. Epub 2011 Nov 4.

Novartis Institutes for BioMedical Research, Inc., Chemical Biology Informatics, Quantitative Biology, Developmental and Molecular Pathways, 220 Massachusetts Avenue, 02139 Cambridge, MA, USA.

View Article and Find Full Text PDF
December 2011

Recent trends and observations in the design of high-quality screening collections.

Future Med Chem 2011 Apr;3(6):751-66

Novartis Institutes for BioMedical Research, Center for Proteomic Chemistry, Forum 1, Novartis Campus, CH-4056 Basel, Switzerland.

View Article and Find Full Text PDF
April 2011

Classifying large chemical data sets: using a regularized potential function method.

J Chem Inf Model 2011 Jan 15;51(1):4-14. Epub 2010 Dec 15.

Unilever Centre for Molecular Sciences Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom.

View Article and Find Full Text PDF
January 2011

A lead discovery strategy driven by a comprehensive analysis of proteases in the peptide substrate space.

Protein Sci 2010 Nov;19(11):2096-109

Lead Discovery Informatics, Lead Finding Platform, Novartis Institutes for BioMedical Research, Inc., 250 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA.

View Article and Find Full Text PDF
November 2010

Computational toxicology: an overview of the sources of data and of modelling methods.

Expert Opin Drug Metab Toxicol 2009 Jan;5(1):1-14

Unilever Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, UK.

View Article and Find Full Text PDF
January 2009