Sparse QSAR modelling methods for therapeutic and regenerative medicine

Prediction of Broad-Spectrum Pathogen Attachment to Coating Materials for Biomedical Devices

(2018) Paulius Mikulskis et al.   ACS Applied Materials & Interfaces

Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules

(2018) Rafael Gómez-Bombarelli et al.   ACS Central Science

Discovery and Optimization of Materials Using Evolutionary Approaches

(2016) Tu C. Le et al.   CHEMICAL REVIEWS

Understanding the Roles of the “Two QSARs”

(2016) Toshio Fujita et al.   Journal of Chemical Information and Modeling

Optimization of drug combinations using Feedback System Control

(2016) Patrycja Nowak-Sliwinska et al.   Nature Protocols

Recent advances, and unresolved issues, in the application of computational modelling to the prediction of the biological effects of nanomaterials

(2016) David A. Winkler   TOXICOLOGY AND APPLIED PHARMACOLOGY

A Bright Future for Evolutionary Methods in Drug Design

(2015) Tu C. Le et al.   ChemMedChem

Relevance Vector Machines: Sparse Classification Methods for QSAR

(2015) Frank R. Burden et al.   Journal of Chemical Information and Modeling

Beware of R2: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

(2015) D. L. J. Alexander et al.   Journal of Chemical Information and Modeling

Sparse feature selection methods identify unexpected global cellular response to strontium-containing materials

(2015) Hélène Autefage et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Modelling and Prediction of Bacterial Attachment to Polymers

(2013) V. C. Epa et al.   ADVANCED FUNCTIONAL MATERIALS

Aqueous Solubility Prediction: Do Crystal Lattice Interactions Help?

(2013) Maryam Salahinejad et al.   MOLECULAR PHARMACEUTICS

Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties

(2012) Tu Le et al.   CHEMICAL REVIEWS

Robust, quantitative tools for modelling ex-vivo expansion of haematopoietic stem cells and progenitors

(2012) David A. Winkler et al.   Molecular BioSystems

Modeling Biological Activities of Nanoparticles

(2012) V. Chandana Epa et al.   NANO LETTERS

Combinatorial discovery of polymers resistant to bacterial attachment

(2012) Andrew L Hook et al.   NATURE BIOTECHNOLOGY

Applying quantitative structure–activity relationship approaches to nanotoxicology: Current status and future potential

(2012) David A. Winkler et al.   TOXICOLOGY

Toward Novel Universal Descriptors: Charge Fingerprints

(2009) Frank R. Burden et al.   Journal of Chemical Information and Modeling

An Optimal Self-Pruning Neural Network and Nonlinear Descriptor Selection in QSAR

(2009) Frank R. Burden et al.   Quantitative structure-activity relationships & combinatorial science

Optimal Sparse Descriptor Selection for QSAR Using Bayesian Methods

(2009) F. R. Burden et al.   Quantitative structure-activity relationships & combinatorial science

Consistent concepts of self-organization and self-assembly

(2008) Julianne. D. Halley et al.   COMPLEXITY

Classification of emergence and its relation to self-organization

(2008) Julianne. D. Halley et al.   COMPLEXITY