Quantifying structure and performance diversity for sets of small molecules comprising small-molecule screening collections

Navigating the kinome

(2011) James T Metz et al.   Nature Chemical Biology

Fragment-based domain shuffling approach for the synthesis of pyran-based macrocycles

(2011) E. Comer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Route to three-dimensional fragments using diversity-oriented synthesis

(2011) A. W. Hung et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties

(2010) Travis T. Wager et al.   ACS Chemical Neuroscience

Cheminformatics approaches to analyze diversity in compound screening libraries

(2010) Lakshmi B Akella et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Current strategies for diversity-oriented synthesis

(2010) Sivaraman Dandapani et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Enhancements of screening collections to address areas of unmet medical need: an industry perspective

(2010) David H Drewry et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Molecular similarity and diversity approaches in chemoinformatics

(2010) Varun Khanna et al.   DRUG DEVELOPMENT RESEARCH

An Aldol-Based Build/Couple/Pair Strategy for the Synthesis of Medium- and Large-Sized Rings: Discovery of Macrocyclic Histone Deacetylase Inhibitors

(2010) Lisa A. Marcaurelle et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Towards patient-based cancer therapeutics

(2010) Stuart L Schreiber et al.   NATURE BIOTECHNOLOGY

Grand Challenge Commentary: Accessing new chemical space for 'undruggable' targets

(2010) Sivaraman Dandapani et al.   Nature Chemical Biology

Stereochemical and Skeletal Diversity Arising from Amino Propargylic Alcohols

(2010) Daniela Pizzirani et al.   ORGANIC LETTERS

Expanding Stereochemical and Skeletal Diversity Using Petasis Reactions and 1,3-Dipolar Cycloadditions

(2010) Giovanni Muncipinto et al.   ORGANIC LETTERS

Small molecules of different origins have distinct distributions of structural complexity that correlate with protein-binding profiles

(2010) P. A. Clemons et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Connecting synthetic chemistry decisions to cell and genome biology using small-molecule phenotypic profiling

(2009) Bridget K Wagner et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Chemoinformatic Analysis of Combinatorial Libraries, Drugs, Natural Products, and Molecular Libraries Small Molecule Repository

(2009) Narender Singh et al.   Journal of Chemical Information and Modeling

How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space

(2009) Andreas Bender et al.   Journal of Chemical Information and Modeling

ProSAR: A New Methodology for Combinatorial Library Design

(2009) Hongming Chen et al.   Journal of Chemical Information and Modeling

Alpha Shapes Applied to Molecular Shape Characterization Exhibit Novel Properties Compared to Established Shape Descriptors

(2009) J. Anthony Wilson et al.   Journal of Chemical Information and Modeling

Shannon Entropy-Based Fingerprint Similarity Search Strategy

(2009) Yuan Wang et al.   Journal of Chemical Information and Modeling

Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success

(2009) Frank Lovering et al.   JOURNAL OF MEDICINAL CHEMISTRY

Using Biological Performance Similarity To Inform Disaccharide Library Design

(2009) Tetsuya Tanikawa et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Scaffold Diversity Analysis of Compound Data Sets Using an Entropy-Based Measure

(2009) Jose L. Medina-Franco et al.   Quantitative structure-activity relationships & combinatorial science

New directions in library design and analysis

(2008) Valerie J Gillet   CURRENT OPINION IN CHEMICAL BIOLOGY

The impact of natural products upon modern drug discovery

(2008) A Ganesan   CURRENT OPINION IN CHEMICAL BIOLOGY

Natural products in drug discovery

(2008) A HARVEY   DRUG DISCOVERY TODAY

Application of Belief Theory to Similarity Data Fusion for Use in Analog Searching and Lead Hopping

(2008) Steven W. Muchmore et al.   Journal of Chemical Information and Modeling