A comparative analysis of the molecular topologies for drugs, clinical candidates, natural products, human metabolites and general bioactive compounds

What Do Medicinal Chemists Actually Make? A 50-Year Retrospective

(2011) W. Patrick Walters et al.   JOURNAL OF MEDICINAL CHEMISTRY

How were new medicines discovered?

(2011) David C. Swinney et al.   NATURE REVIEWS DRUG DISCOVERY

How to Revive Breakthrough Innovation in the Pharmaceutical Industry

(2011) B. H. Munos et al.   Science Translational Medicine

Molecular Topology Analysis of the Differences between Drugs, Clinical Candidate Compounds, and Bioactive Molecules

(2010) Hongming Chen et al.   Journal of Chemical Information and Modeling

Extended-Connectivity Fingerprints

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

Investigation of the Relationship between Topology and Selectivity for Druglike Molecules

(2010) Yidong Yang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Impact of ion class and time on oral drug molecular properties

(2010) Paul D. Leeson et al.   MedChemComm

Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds

(2009) Christian Tyrchan et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Physiochemical property space distribution among human metabolites, drugs and toxins

(2009) Varun Khanna et al.   BMC BIOINFORMATICS

The impact of aromatic ring count on compound developability – are too many aromatic rings a liability in drug design?

(2009) Timothy J. Ritchie et al.   DRUG DISCOVERY TODAY

Do Biologically Relevant Compounds Have More Chance To Be Drugs?

(2009) De-Xin Kong et al.   Journal of Chemical Information and Modeling

Novel Chemical Space Exploration via Natural Products

(2009) Josefin Rosén et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

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

Facilitating the development of controlled vocabularies for metabolomics technologies with text mining

(2008) Irena Spasić et al.   BMC BIOINFORMATICS

The impact of natural products upon modern drug discovery

(2008) A Ganesan   CURRENT OPINION IN CHEMICAL BIOLOGY

‘Metabolite-likeness’ as a criterion in the design and selection of pharmaceutical drug libraries

(2008) Paul D. Dobson et al.   DRUG DISCOVERY TODAY

Natural products to drugs: natural product-derived compounds in clinical trials

(2008) Mark S. Butler   NATURAL PRODUCT REPORTS

Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries

(2007) Peter Ertl et al.   Journal of Chemical Information and Modeling