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NMR quality control of fragment libraries for screening

Journal of biomolecular NMR, 2020-11, Vol.74 (10-11), p.555-563

2020

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Discovery of Small Molecule Drugs Targeting the Biogenesis of microRNA-155 for the Treatment of Systemic Lupus Erythematosus

Chimia, 2020-10, Vol.74 (10), p.798

2020

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New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

Journal of chemical information and modeling, 2006-03, Vol.46 (2), p.462-470

2006

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Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures

Journal of Chemical Information and Computer Sciences, 2004-05, Vol.44 (3), p.1177-1185

2004

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Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection

Current topics in medicinal chemistry, 2005-01, Vol.5 (4), p.397-411

2005

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Exploring the Druggability of Conserved RNA Regulatory Elements in the SARS‐CoV‐2 Genome

Angewandte Chemie International Edition, 2021-08, Vol.60 (35), p.19191-19200

International ed. in English, 2021

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Prediction of Chiral Chromatographic Separations Using Combined Multivariate Regression and Neural Networks

Analytical chemistry (Washington), 1997-10, Vol.69 (19), p.3879-3883

1997

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Mapping Adverse Drug Reactions in Chemical Space

Journal of medicinal chemistry, 2009-05, Vol.52 (9), p.3103-3107

2009

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Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data

ChemMedChem, 2007-06, Vol.2 (6), p.874-880

2007

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Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure

ChemMedChem, 2007-06, Vol.2 (6), p.861-873

2007

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Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

Organic & biomolecular chemistry, 2004-11, Vol.2 (22), p.3256-3266

2004

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Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A4 Hydrolase

Journal of medicinal chemistry, 2021-02, Vol.64 (4), p.1889-1903

2021

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Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase

Journal of medicinal chemistry, 2021-02, Vol.64 (4), p.1889-1903

2021

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Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis

Journal of Chemical Information and Modeling, 2009-02, Vol.49 (2), p.308-317

2009

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19 F NMR-Based Fragment Screening for 14 Different Biologically Active RNAs and 10 DNA and Protein Counter-Screens

Chembiochem : a European journal of chemical biology, 2021-01, Vol.22 (2), p.423-433

2021

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Scientific competency questions as the basis for semantically enriched open pharmacological space development

Drug discovery today, 2013-09, Vol.18 (17-18), p.843-852

2013

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Modulation of Host–Parasite Interactions with Small Molecules Targeting Schistosoma mansoni microRNAs

ACS infectious diseases, 2022-10, Vol.8 (10), p.2028-2034

2022

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Enhancing the Effectiveness of Similarity-Based Virtual Screening Using Nearest-Neighbor Information

Journal of medicinal chemistry, 2005-11, Vol.48 (22), p.7049-7054

2005

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Molecular Informatics as an Enabling in silico Technology Platform for Drug Discovery

Chimia, 2004-09, Vol.58 (9), p.577

2004

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In vitro safety pharmacology profiling: what else beyond hERG?

Future medicinal chemistry, 2009-07, Vol.1 (4), p.645-665

2009

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

Expert opinion on drug metabolism & toxicology, 2011-12, Vol.7 (12), p.1497-1511

2011

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High-throughput in vitro profiling assays: lessons learnt from experiences at Novartis

Expert opinion on drug metabolism & toxicology, 2006-12, Vol.2 (6), p.823-833

2006

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A chemoinformatics analysis of hit lists obtained from high-throughput affinity-selection screening

Journal of biomolecular screening, 2006-03, Vol.11 (2), p.123-130

2006

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Cover Picture: Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure (ChemMedChem 6/2007)

ChemMedChem, 2007-06, Vol.2 (6), p.733-733

2007

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NMR quality control of fragment libraries for screening

Discovery of Small Molecule Drugs Targeting the Biogenesis of microRNA-155 for the Treatment of Systemic Lupus Erythematosus

New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures

Key aspects of the Novartis compound collection enhancement project for the compilation of a comprehensive chemogenomics drug discovery screening collection

Exploring the Druggability of Conserved RNA Regulatory Elements in the SARS‐CoV‐2 Genome

Prediction of Chiral Chromatographic Separations Using Combined Multivariate Regression and Neural Networks

Mapping Adverse Drug Reactions in Chemical Space

Modeling Promiscuity Based on in vitro Safety Pharmacology Profiling Data

Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A4 Hydrolase

Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase

Gaining Insight into Off-Target Mediated Effects of Drug Candidates with a Comprehensive Systems Chemical Biology Analysis

19 F NMR-Based Fragment Screening for 14 Different Biologically Active RNAs and 10 DNA and Protein Counter-Screens

Scientific competency questions as the basis for semantically enriched open pharmacological space development

Modulation of Host–Parasite Interactions with Small Molecules Targeting Schistosoma mansoni microRNAs

Enhancing the Effectiveness of Similarity-Based Virtual Screening Using Nearest-Neighbor Information

Molecular Informatics as an Enabling in silico Technology Platform for Drug Discovery

In vitro safety pharmacology profiling: what else beyond hERG?

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

Exploring the Druggability of Conserved RNA Regulatory Elements in the SARS‐CoV‐2 Genome

High-throughput in vitro profiling assays: lessons learnt from experiences at Novartis

A chemoinformatics analysis of hit lists obtained from high-throughput affinity-selection screening

Cover Picture: Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure (ChemMedChem 6/2007)

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