Quantum probability ranking principle for ligand-based virtual screening

Adapting Document Similarity Measures for Ligand-Based Virtual Screening

(2016) Mubarak Himmat et al.   MOLECULES

Machine-learning approaches in drug discovery: methods and applications

(2015) Antonio Lavecchia   DRUG DISCOVERY TODAY

An overview of molecular fingerprint similarity search in virtual screening

(2015) Ingo Muegge et al.   Expert Opinion on Drug Discovery

A Quantum-Based Similarity Method in Virtual Screening

(2015) Mohammed Al-Dabbagh et al.   MOLECULES

Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

(2015) Dávid Bajusz et al.   Journal of Cheminformatics

Extreme learning machine for ranking: Generalization analysis and applications

(2014) Hong Chen et al.   NEURAL NETWORKS

Learning performance of coefficient-based regularized ranking

(2014) Hong Chen et al.   NEUROCOMPUTING

Condorcet and borda count fusion method for ligand-based virtual screening

(2014) Ali Ahmed et al.   Journal of Cheminformatics

Combination of Similarity Rankings Using Data Fusion

(2013) Peter Willett   Journal of Chemical Information and Modeling

Enhanced ranking of PknB Inhibitors using data fusion methods

(2013) Abhik Seal et al.   Journal of Cheminformatics

Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data Sets

(2012) Roberto Todeschini et al.   Journal of Chemical Information and Modeling

Ligand expansion in ligand-based virtual screening using relevance feedback

(2012) Ammar Abdo et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Support Vector Regression Scoring of Receptor–Ligand Complexes for Rank-Ordering and Virtual Screening of Chemical Libraries

(2011) Liwei Li et al.   Journal of Chemical Information and Modeling

Non-Linear Modeling and Chemical Interpretation with Aid of Support Vector Machine and Regression

(2010) Kiyoshi Hasegawa et al.   Current Computer-Aided Drug Design

Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach

(2010) Shivani Agarwal et al.   Journal of Chemical Information and Modeling

Ligand-Based Virtual Screening Using Bayesian Networks

(2010) Ammar Abdo et al.   Journal of Chemical Information and Modeling

StructRank: A New Approach for Ligand-Based Virtual Screening

(2010) Fabian Rathke et al.   Journal of Chemical Information and Modeling

Ruling Out Multi-Order Interference in Quantum Mechanics

(2010) U. Sinha et al.   SCIENCE

Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors

(2009) Anne Mai Wassermann et al.   Journal of Chemical Information and Modeling

Evaluation of a Bayesian inference network for ligand-based virtual screening

(2009) Beining Chen et al.   Journal of Cheminformatics

In Silico Pharmacology: Computer-Aided Methods Could Transform Drug Development

(2008) Chandra Shekhar   CHEMISTRY & BIOLOGY