相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Lead-Oriented Synthesis: A New Opportunity for Synthetic Chemistry
Alan Nadin et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Impact of Lipophilic Efficiency on Compound Quality
Akos Tarcsay et al.
JOURNAL OF MEDICINAL CHEMISTRY (2012)
Quantifying the chemical beauty of drugs
G. Richard Bickerton et al.
NATURE CHEMISTRY (2012)
Ten key issues in modern flow chemistry
Jens Wegner et al.
CHEMICAL COMMUNICATIONS (2011)
Structural Alert/Reactive Metabolite Concept as Applied in Medicinal Chemistry to Mitigate the Risk of Idiosyncratic Drug Toxicity: A Perspective Based on the Critical Examination of Trends in the Top 200 Drugs Marketed in the United States
Antonia F. Stepan et al.
CHEMICAL RESEARCH IN TOXICOLOGY (2011)
Publisher's Note
CURRENT OPINION IN CHEMICAL BIOLOGY (2011)
Molecular complexity and fragment-based drug discovery: ten years on
Andrew R. Leach et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2011)
Fragment screening to predict druggability (ligandability) and lead discovery success
Fredrik N. B. Edfeldt et al.
DRUG DISCOVERY TODAY (2011)
Getting physical in drug discovery II: the impact of chromatographic hydrophobicity measurements and aromaticity
Robert J. Young et al.
DRUG DISCOVERY TODAY (2011)
Drug discovery in the next decade: innovation needed ASAP
Youssef L. Bennani
DRUG DISCOVERY TODAY (2011)
Application of drug efficiency index in drug discovery: a strategy towards low therapeutic dose
Dino Montanari et al.
EXPERT OPINION ON DRUG DISCOVERY (2011)
Assessing the lipophilicity of fragments and early hits
Paul N. Mortenson et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2011)
What Do Medicinal Chemists Actually Make? A 50-Year Retrospective
W. Patrick Walters et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
The Medicinal Chemist's Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates
Stephen D. Roughley et al.
JOURNAL OF MEDICINAL CHEMISTRY (2011)
Congeneric but Still Distinct: How Closely Related Trypsin Ligands Exhibit Different Thermodynamic and Structural Properties
Tobias Brandt et al.
JOURNAL OF MOLECULAR BIOLOGY (2011)
BINANA: A novel algorithm for ligand-binding characterization
Jacob D. Durrant et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2011)
Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design
Peter Schmidtke et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Collective synthesis of natural products by means of organocascade catalysis
Spencer B. Jones et al.
NATURE (2011)
How were new medicines discovered?
David C. Swinney et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
The influence of the 'organizational factor' on compound quality in drug discovery
Paul D. Leeson et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
Impact of high-throughput screening in biomedical research
Ricardo Macarron et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
Probing the links between in vitro potency, ADMET and physicochemical parameters
M. Paul Gleeson et al.
NATURE REVIEWS DRUG DISCOVERY (2011)
Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase
Phillip W. Snyder et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Extent of enthalpy-entropy compensation in protein-ligand interactions
Tjelvar S. G. Olsson et al.
PROTEIN SCIENCE (2011)
An assessment of R&D productivity in the pharmaceutical industry
Nicola Dimitri
TRENDS IN PHARMACOLOGICAL SCIENCES (2011)
Intramolecular hydrogen bonding to improve membrane permeability and absorption in beyond rule of five chemical space
Alexander Alex et al.
MEDCHEMCOMM (2011)
Molecular obesity, potency and other addictions in drug discovery
Michael M. Hann
MEDCHEMCOMM (2011)
Thermodynamics of Ligand Binding and Efficiency
Charles H. Reynolds et al.
ACS MEDICINAL CHEMISTRY LETTERS (2011)
Analysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffolds
Christopher Southan et al.
JOURNAL OF CHEMINFORMATICS (2011)
Defining Desirable Central Nervous System Drug Space through the Alignment of Molecular Properties, in Vitro ADME, and Safety Attributes
Travis T. Wager et al.
ACS CHEMICAL NEUROSCIENCE (2010)
Moving beyond Rules: The Development of a Central Nervous System Multiparameter Optimization (CNS MPO) Approach To Enable Alignment of Druglike Properties
Travis T. Wager et al.
ACS CHEMICAL NEUROSCIENCE (2010)
Factors Determining the Selection of Organic Reactions by Medicinal Chemists and the Use of These Reactions in Arrays (Small Focused Libraries)
Tony W. J. Cooper et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Thermodynamics guided lead discovery and optimization
Gyoergy G. Ferenczy et al.
DRUG DISCOVERY TODAY (2010)
Getting physical in drug discovery: a contemporary perspective on solubility and hydrophobicity
Alan P. Hill et al.
DRUG DISCOVERY TODAY (2010)
5TH DRUG DESIGN & LEAD DISCOVERY CONFERENCE 2009: LEAD FINDING STRATEGIES AND OPTIMIZATION CASE STUDIES
Gyoergy M. Keserue
DRUGS OF THE FUTURE (2010)
Drug efficiency: a new concept to guide lead optimization programs towards the selection of better clinical candidates
Simone Braggio et al.
EXPERT OPINION ON DRUG DISCOVERY (2010)
Lipophilicity in drug discovery
Michael J. Waring
EXPERT OPINION ON DRUG DISCOVERY (2010)
Enthalpic Efficiency of Ligand Binding
Gyoergy G. Ferenczy et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2010)
The Developability Classification System: Application of Biopharmaceutics Concepts to Formulation Development
James M. Butler et al.
JOURNAL OF PHARMACEUTICAL SCIENCES (2010)
Adding calorimetric data to decision making in lead discovery: a hot tip
John E. Ladbury et al.
NATURE REVIEWS DRUG DISCOVERY (2010)
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
Christian Tyrchan et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)
Defining optimum lipophilicity and molecular weight ranges for drug candidates-Molecular weight dependent lower logD limits based on permeability
Michael J. Waring
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2009)
Two 'Golden Ratio' indices in fragment-based drug discovery
Masaya Orita et al.
DRUG DISCOVERY TODAY (2009)
Simple Size-Independent Measure of Ligand Efficiency
J. Willem M. Nissink
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2009)
Heteroaromatic Rings of the Future
William R. Pitt et al.
JOURNAL OF MEDICINAL CHEMISTRY (2009)
Calculation of Molecular Lipophilicity: State-of-the-Art and Comparison of Log P Methods on More Than 96,000 Compounds
Raimund Mannhold et al.
JOURNAL OF PHARMACEUTICAL SCIENCES (2009)
The rise of fragment-based drug discovery
Christopher W. Murray et al.
NATURE CHEMISTRY (2009)
The influence of lead discovery strategies on the properties of drug candidates
Gyoergy M. Keserue et al.
NATURE REVIEWS DRUG DISCOVERY (2009)
Physiochemical drug properties associated with in vivo toxicological outcomes
Jason D. Hughes et al.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS (2008)
A structural biology view of target drugability
Ursula Egner et al.
EXPERT OPINION ON DRUG DISCOVERY (2008)
Ligand binding efficiency: Trends, physical basis, and implications
Charles H. Reynolds et al.
JOURNAL OF MEDICINAL CHEMISTRY (2008)
Generation of a set of simple, interpretable ADMET rules of thumb
M. Paul Gleeson
JOURNAL OF MEDICINAL CHEMISTRY (2008)
The Thermodynamics of Protein-Ligand Interaction and Solvation: Insights for Ligand Design
Tjelvar S. G. Olsson et al.
JOURNAL OF MOLECULAR BIOLOGY (2008)
The influence of drug-like concepts on decision-making in medicinal chemistry
Paul D. Leeson et al.
NATURE REVIEWS DRUG DISCOVERY (2007)
Opinion - How many drug targets are there?
John P. Overington et al.
NATURE REVIEWS DRUG DISCOVERY (2006)
Opinion - Drug-target residence time and its implications for lead optimization
Robert A. Copeland et al.
NATURE REVIEWS DRUG DISCOVERY (2006)
Global mapping of pharmacological space
Gaia V. Paolini et al.
NATURE BIOTECHNOLOGY (2006)
Dependence of molecular properties on proteomic family for marketed oral drugs
Michal Vieth et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
The influence of target family and functional activity on the physicochemical properties of pre-clinical compounds
Richard Morphy
JOURNAL OF MEDICINAL CHEMISTRY (2006)
Predicting protein druggability
PJ Hajduk et al.
DRUG DISCOVERY TODAY (2005)
Designed multiple ligands. An emerging drug discovery paradigm
R Morphy et al.
JOURNAL OF MEDICINAL CHEMISTRY (2005)
Diversity-oriented synthesis: exploring the intersections between chemistry and biology
DS Tan
NATURE CHEMICAL BIOLOGY (2005)
Time-related differences in the physical property profiles of oral drugs
PD Leeson et al.
JOURNAL OF MEDICINAL CHEMISTRY (2004)
Pursuing the leadlikeness concept in pharmaceutical research
MM Hann et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2004)
A comparison of physiochemical property profiles of development and marketed oral drugs
MC Wenlock et al.
JOURNAL OF MEDICINAL CHEMISTRY (2003)
Is there a difference between leads and drugs? A historical perspective
TI Oprea et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)
Molecular complexity and its impact on the probability of finding leads for drug discovery
MM Hann et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)