PASS Targets: Ligand-based multi-target computational system based on a public data and naïve Bayes approach

The Chemical Space Project

(2015) Jean-Louis Reymond   ACCOUNTS OF CHEMICAL RESEARCH

Toward a Benchmarking Data Set Able to Evaluate Ligand- and Structure-based Virtual Screening Using Public HTS Data

(2015) Martin Lindh et al.   Journal of Chemical Information and Modeling

Identification of Drug Targets Related to the Induction of Ventricular Tachyarrhythmia Through a Systems Chemical Biology Approach

(2015) Sergey M. Ivanov et al.   TOXICOLOGICAL SCIENCES

Hypoxia-inducible factors in cancer stem cells and inflammation

(2015) Gong Peng et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Identification of Drug-Induced Myocardial Infarction-Related Protein Targets through the Prediction of Drug–Target Interactions and Analysis of Biological Processes

(2014) Sergey M. Ivanov et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

(2014) D. A. Filimonov et al.   Chemistry of Heterocyclic Compounds

Recently targeted kinases and their inhibitors—the path to clinical trials

(2014) Stefan Knapp et al.   CURRENT OPINION IN PHARMACOLOGY

UniProt: a hub for protein information

(2014)   NUCLEIC ACIDS RESEARCH

Computer-aided design and discovery of protein–protein interaction inhibitors as agents for anti-HIV therapy

(2014) A.V. Veselovsky et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Some solved and unsolved problems of chemoinformatics

(2014) J. Gasteiger   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Pharmacophore and docking-based virtual screening approach for the design of new dual inhibitors of Janus kinase 1 and Janus kinase 2

(2014) H. Jasuja et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Polypharmacology in a Single Drug: Multitarget Drugs

(2013) M. L. Bolognesi   CURRENT MEDICINAL CHEMISTRY

Polypharmacology – Foe or Friend?

(2013) Jens-Uwe Peters   JOURNAL OF MEDICINAL CHEMISTRY

Quality Issues with Public Domain Chemogenomics Data

(2013) Tuomo Kalliokoski et al.   Molecular Informatics

DrugBank 4.0: shedding new light on drug metabolism

(2013) Vivian Law et al.   NUCLEIC ACIDS RESEARCH

The ChEMBL bioactivity database: an update

(2013) A. Patrícia Bento et al.   NUCLEIC ACIDS RESEARCH

Comparability of Mixed IC50 Data – A Statistical Analysis

(2013) Tuomo Kalliokoski et al.   PLoS One

Tyrosine Kinase Inhibitors: Views of Selectivity, Sensitivity, and Clinical Performance

(2012) Alexander Levitzki   Annual Review of Pharmacology and Toxicology

The Experimental Uncertainty of Heterogeneous Public Ki Data

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

On the origins of drug polypharmacology

(2012) Xavier Jalencas et al.   MedChemComm

Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation

(2010) Hanna Geppert et al.   Journal of Chemical Information and Modeling