Inferring multi-target QSAR models with taxonomy-based multi-task learning

Prediction of Compounds with Closely Related Activity Profiles Using Weighted Support Vector Machine Linear Combinations

(2013) Kathrin Heikamp et al.   Journal of Chemical Information and Modeling

Systematic Identification of Scaffolds Representing Compounds Active against Individual Targets and Single or Multiple Target Families

(2013) Ye Hu et al.   Journal of Chemical Information and Modeling

Comparability of Mixed IC50 Data – A Statistical Analysis

(2013) Tuomo Kalliokoski et al.   PLoS One

Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data

(2013) Gerard J. P. van Westen et al.   PLoS Computational Biology

Challenges in the design of multitarget drugs against multifactorial pathologies: a new life for medicinal chemistry?

(2012) Luca Costantino et al.   Future Medicinal Chemistry

Rapid Development of Piperidine Carboxamides as Potent and Selective Anaplastic Lymphoma Kinase Inhibitors

(2012) Marian C. Bryan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Dibenzosuberones as p38 Mitogen-Activated Protein Kinase Inhibitors with Low ATP Competitiveness and Outstanding Whole Blood Activity

(2012) Stefan Fischer et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Experimental Uncertainty of Heterogeneous Public Ki Data

(2012) Christian Kramer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Multi-Target Drugs: The Trend of Drug Research and Development

(2012) Jin-Jian Lu et al.   PLoS One

Tri- and Tetrasubstituted Pyrazole Derivates: Regioisomerism Switches Activity from p38MAP Kinase to Important Cancer Kinases

(2011) Bassam Abu Thaher et al.   JOURNAL OF MEDICINAL CHEMISTRY

From in silico target prediction to multi-target drug design: Current databases, methods and applications

(2011) Alexios Koutsoukas et al.   Journal of Proteomics

ChEMBL: a large-scale bioactivity database for drug discovery

(2011) A. Gaulton et al.   NUCLEIC ACIDS RESEARCH

PIM serine/threonine kinases in the pathogenesis and therapy of hematologic malignancies and solid cancers

(2010) L. Brault et al.   HAEMATOLOGICA

Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

(2010) Denis Fourches et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

In-Silico Approaches to Multi-target Drug Discovery

(2010) Xiao Hua Ma et al.   PHARMACEUTICAL RESEARCH

Structure of Protein Interaction Networks and Their Implications on Drug Design

(2009) Takeshi Hase et al.   PLoS Computational Biology

Small-molecule inhibitors binding to protein kinase. Part II: the novel pharmacophore approach of type II and type III inhibition

(2008) AC Backes et al.   Expert Opinion on Drug Discovery

A quantitative analysis of kinase inhibitor selectivity

(2008) Mazen W Karaman et al.   NATURE BIOTECHNOLOGY

Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases

(2008) Beth Apsel et al.   Nature Chemical Biology

Inhibitors of c-Jun N-terminal kinases—JuNK no more?

(2007) Marie A. Bogoyevitch et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS