Increasing small molecule drug developability in sub-optimal chemical space

Going further than Lipinski's rule in drug design

(2012) W Patrick Walters   Expert Opinion on Drug Discovery

Beyond Size, Ionization State, and Lipophilicity: Influence of Molecular Topology on Absorption, Distribution, Metabolism, Excretion, and Toxicity for Druglike Compounds

(2012) Yidong Yang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Quantifying the chemical beauty of drugs

(2012) G. Richard Bickerton et al.   Nature Chemistry

The developability of heteroaromatic and heteroaliphatic rings – do some have a better pedigree as potential drug molecules than others?

(2012) Timothy J. Ritchie et al.   MedChemComm

Escape from Flatland 2: complexity and promiscuity

(2012) Frank Lovering   MedChemComm

Strategies to improve in vivo toxicology outcomes for basic candidate drug molecules

(2011) Tim Luker et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Evolution of the physicochemical properties of marketed drugs: can history foretell the future?

(2011) Bernard Faller et al.   DRUG DISCOVERY TODAY

Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity

(2011) Robert J. Young et al.   DRUG DISCOVERY TODAY

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

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

Molecular obesity, potency and other addictions in drug discovery

(2011) Michael M. Hann   MedChemComm

Lead optimization in the nondrug-like space

(2010) Hongyu Zhao   DRUG DISCOVERY TODAY

The impact of aromatic ring count on compound developability: further insights by examining carbo- and hetero-aromatic and -aliphatic ring types

(2010) Timothy J. Ritchie et al.   DRUG DISCOVERY TODAY

Lipophilicity in drug discovery

(2010) Michael J Waring   Expert Opinion on Drug Discovery

Impact of ion class and time on oral drug molecular properties

(2010) Paul D. Leeson et al.   MedChemComm

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

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

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

Straightforward Recursive Partitioning Model for Discarding Insoluble Compounds in the Drug Discovery Process

(2008) Claudia Lamanna et al.   JOURNAL OF MEDICINAL CHEMISTRY

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY