Lead-Oriented Synthesis: A New Opportunity for Synthetic Chemistry

The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates

(2011) Stephen D. Roughley et al.   JOURNAL OF MEDICINAL CHEMISTRY

Iridium-Catalyzed Asymmetric Allylic Amination with Polar Amines: Access to Building Blocks with Lead-Like Molecular Properties

(2010) Paolo Tosatti et al.   ADVANCED SYNTHESIS & CATALYSIS

Factors Determining the Selection of Organic Reactions by Medicinal Chemists and the Use of These Reactions in Arrays (Small Focused Libraries)

(2010) Tony W. J. Cooper et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity

(2010) Alan P. Hill et al.   DRUG DISCOVERY TODAY

Lipophilicity in drug discovery

(2010) Michael J Waring   Expert Opinion on Drug Discovery

Drug- and Lead-likeness, Target Class, and Molecular Diversity Analysis of 7.9 Million Commercially Available Organic Compounds Provided by 29 Suppliers

(2010) Alexander Chuprina et al.   Journal of Chemical Information and Modeling

Comprehensive Survey of Chemical Libraries for Drug Discovery and Chemical Biology: 2009

(2010) Roland E. Dolle et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

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

Chemical space as a source for new drugs

(2010) Jean-Louis Reymond et al.   MedChemComm

ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters

(2009) Paul Gleeson et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Defining optimum lipophilicity and molecular weight ranges for drug candidates—Molecular weight dependent lower logD limits based on permeability

(2009) Michael J. Waring   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Classification of Organic Molecules by Molecular Quantum Numbers

(2009) Kong T. Nguyen et al.   ChemMedChem

Implications of the Dominant Role of Transporters in Drug Uptake by Cells (Supplementary Material)

(2009) Paul Dobson et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

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

Parallel Microwave Synthesis of 2-Styrylquinazolin-4(3H)-ones in a High-Throughput Platform Using HPLC/GC Vials as Reaction Vessels

(2009) Mostafa Baghbanzadeh et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Rapid Access to N-Substituted Diketopiperazines by One-Pot Ugi-4CR/Deprotection+Activation/Cyclization (UDAC)

(2009) Cristiano R. B. Rhoden et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Polymer-Supported α-Acylamino Ketones: Preparation and Application in Syntheses of 1,2,4-Trisubstituted-1H-imidazoles

(2009) Jan Kočí et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Solid-Phase Synthesis of 2-Pyridones, 1,4-Diazepines, and 1,4-Oxazepines from Resin-Bound 3-Amino-2-seleno Ester

(2009) Jian-Feng Xu et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Efficient and Convenient Synthesis of Indazol-3(2H)-ones and 2-Aminobenzonitriles

(2009) Guolan Dou et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Multiplicity of Diverse Heterocycles from Polymer-Supported α-Acylamino Ketones

(2009) Naděžda Pudelová et al.   JOURNAL OF COMBINATORIAL CHEMISTRY

Covalent Modifiers: An Orthogonal Approach to Drug Design

(2009) Michele H. Potashman 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

Quantitative Analyses of Aggregation, Autofluorescence, and Reactivity Artifacts in a Screen for Inhibitors of a Thiol Protease

(2009) Ajit Jadhav et al.   JOURNAL OF MEDICINAL CHEMISTRY

970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13

(2009) Lorenz C. Blum et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protecting-group-free synthesis as an opportunity for invention

(2009) Ian S. Young et al.   Nature Chemistry

The influence of lead discovery strategies on the properties of drug candidates

(2009) György M. Keserü et al.   NATURE REVIEWS DRUG DISCOVERY

A Novel One-Pot Three-(in SituFive-)Component Condensation Reaction: An Unexpected Approach for the Synthesis of Tetrahydro-2,4-dioxo-1H-benzo[b][1,5]diazepine-3-yl-2-methylpropanamide Derivatives

(2009) Ahmad Shaabani et al.   ORGANIC LETTERS

Reaction between N-Isocyaniminotriphenylphosphorane, Aldehydes, and Carboxylic Acids: A One-Pot and Three-Component Synthesis of 2-Aryl-5-hydroxyalkyl-1,3,4-oxadiazoles

(2009) Mehdi Adib et al.   SYNLETT

Physiochemical drug properties associated with in vivo toxicological outcomes

(2008) Jason D. Hughes et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY

Carrier-mediated cellular uptake of pharmaceutical drugs: an exception or the rule?

(2008) Paul D. Dobson et al.   NATURE REVIEWS DRUG DISCOVERY

Rapid, microwave-assisted synthesis of N1-substituted 3-amino-1,2,4-triazoles

(2008) Jerry Meng et al.   TETRAHEDRON LETTERS