Citation Impact
Citing Papers
Quantitative structure—chromatographic retention relationships
1988
Copper-free click chemistry in living animals
2010 StandoutNobel
Bias in random forest variable importance measures: Illustrations, sources and a solution
2007 Standout
A cell-free platform for the prenylation of natural products and application to cannabinoid production
2019 StandoutNobel
Paper-based microfluidic point-of-care diagnostic devices
2013 Standout
Determination of sets of solute descriptors from chromatographic measurements
2004 Standout
Solvent colorimetric paper-based polydiacetylene sensors from diacetylene lipids
2011
The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors
2002
Open Babel: An open chemical toolbox
2011 Standout
Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach
2006
Descriptors for antimicrobial peptides
2011
Engineering an allosteric transcription factor to respond to new ligands
2015 StandoutNobel
Chemoinformatics – predicting the physicochemical properties of 'drug-like' molecules
2000
Designing antimicrobial peptides: form follows function
2011 Standout
Drug repurposing: progress, challenges and recommendations
2018 Standout
Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?
2008
SwissParam: A fast force field generation tool for small organic molecules
2011 Standout
DG-AMMOS: A New tool to generate 3D conformation of small molecules using D istance G eometry and A utomated M olecular M echanics O ptimization for in silico S creening
2009
The use of sensor arrays for environmental monitoring: interests and limitations
2003
Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds
2018
In silico methods to address polypharmacology: current status, applications and future perspectives
2015
Fluorescence-based fibre optic arrays: a universal platform for sensing
2003
Sensing A Paradigm Shift in the Field of Molecular Recognition: From Selective to Differential Receptors
2001
ProTox: a web server for the in silico prediction of rodent oral toxicity
2014
A colloidal quantum dot spectrometer
2015 StandoutNatureNobel
The Cucurbit[n]uril Family
2005 Standout
Mercury 4.0: from visualization to analysis, design and prediction
2019 Standout
Beware of q2!
2002 Standout
BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library
2015
Integration of virtual and high-throughput screening
2002
Hydrophilic interaction liquid chromatography (HILIC)—a powerful separation technique
2011 Standout
Fingerprinting food: current technologies for the detection of food adulteration and contamination
2012 Standout
A Comparison between the Two General Sets of Linear Free Energy Descriptors of Abraham and Klamt
2002
CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge
2015 StandoutNobel
Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
2010
Weighted Superposition Attraction (WSA): A swarm intelligence algorithm for optimization problems – Part 1: Unconstrained optimization
2015
Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
2011 Standout
Feature Selection for Structure−Activity Correlation Using Binary Particle Swarms
2002
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
A Hydrophilic Azacyclooctyne for Cu-Free Click Chemistry
2008 StandoutNobel
Azole-Based Energetic Salts
2011 Standout
Prediction of Drug Absorption Using Multivariate Statistics
2000 Standout
Cross-Reactive Chemical Sensor Arrays
2000
Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches
1998
Genetic Algorithm-Based Method for Selecting Wavelengths and Model Size for Use with Partial Least-Squares Regression: Application to Near-Infrared Spectroscopy
1996
Properties of Vapor Detector Arrays Formed through Plasticization of Carbon Black−Organic Polymer Composites
2002 StandoutNobel
Quantitative Structure−Activity Relationship Modeling of Dopamine D1Antagonists Using Comparative Molecular Field Analysis, Genetic Algorithms−Partial Least-Squares, and K Nearest Neighbor Methods
1999
Development of Linear, Ensemble, and Nonlinear Models for the Prediction and Interpretation of the Biological Activity of a Set of PDGFR Inhibitors
2004
Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices
2001
Particle swarm optimization
2007 Standout
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
2012 Standout
Docking and scoring in virtual screening for drug discovery: methods and applications
2004 Standout
ZINC: A Free Tool to Discover Chemistry for Biology
2012 Standout
A Specific Mechanism of Nonspecific Inhibition
2003 Standout
ProTox-II: a webserver for the prediction of toxicity of chemicals
2018 Standout
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
2019 Standout
Knowledge-Based Conformer Generation Using the Cambridge Structural Database
2018
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties
1999
Tools and Tactics for the Optical Detection of Mercuric Ion
2008 Standout
Physicochemical Properties and Structures of Room-Temperature Ionic Liquids. 3. Variation of Cationic Structures
2006 Standout
Sampling and energy evaluation challenges in ligand binding protein design
2017 StandoutNobel
Environmental Sensor Networks: A revolution in the earth system science?
2006 Standout
Digital Reticular Chemistry
2020 StandoutNobel
Prediction of Human Intestinal Absorption of Drug Compounds from Molecular Structure
1998
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
2000 Standout
Polarity study of some 1-alkyl-3-methylimidazolium ambient-temperature ionic liquids with the solvatochromic dye, Nile Red
2000
Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation
2015
Conformer Generation with OMEGA: Learning from the Data Set and the Analysis of Failures
2012
Fiber-Optic Chemical Sensors and Biosensors
2006 Standout
Fiber-Optic Biosensors—Trends and Advances
2000
A two-stage evolutionary algorithm for variable selection in the development of RBF neural network models
2004
Simultaneous determination of relative humidity and ammonia in air employing an optical fibre sensor and artificial neural network
2001
Characterization and comparison of hydrophilic and hydrophobic room temperature ionic liquids incorporating the imidazolium cation
2001 Standout
The Arithmetic Optimization Algorithm
2021 Standout
Rapid Generation of Privileged Substructure-Based Compound Libraries with Structural Diversity and Drug-Likeness
2014
Exploitation of spatiotemporal information and geometric optimization of signal/noise performance using arrays of carbon black-polymer composite vapor detectors
2002
Aromaticity as a Cornerstone of Heterocyclic Chemistry
2004 Standout
Ionic Liquid (Molten Salt) Phase Organometallic Catalysis
2002 Standout
Applications of Palladium-Catalyzed C–N Cross-Coupling Reactions
2016 Standout
Solvent replacement for green processing.
1998
Computational Multitarget Drug Design
2017
Designing materials for electrochemical carbon dioxide recycling
2019 Standout
QSRR: Quantitative Structure-(Chromatographic) Retention Relationships
2007
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on thek-Nearest-Neighbor Principle
1999
Aufspüren eines Paradigmenwechsels auf dem Gebiet der molekularen Erkennung: von den selektiven Rezeptoren zu den differenziellen Rezeptoren
2001
A survey on feature selection methods
2013 Standout
Combination of ligand- and structure-based methods in virtual screening
2013
Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
2010
Stapled β-Hairpins Featuring 4-Mercaptoproline
2021 StandoutNobel
Discrimination of the variety and region of origin of extra virgin olive oils using 13C NMR and multivariate calibration with variable reduction
1997
Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 2. Variation of Alkyl Chain Length in Imidazolium Cation
2005 Standout
Enhanced Sensitivity to and Classification of Volatile Carboxylic Acids Using Arrays of Linear Poly(ethylenimine)−Carbon Black Composite Vapor Detectors
2003 StandoutNobel
A New Efficient Approach for Variable Selection Based on Multiregression: Prediction of Gas Chromatographic Retention Times and Response Factors
1999
How to explore chemical space using algorithms and automation
2019
ZINC 15 – Ligand Discovery for Everyone
2015 Standout
Comparison of odor detection thresholds and odor discriminablities of a conducting polymer composite electronic nose versus mammalian olfaction
2001
Works of Jon M. Sutter being referenced
New Features that Improve the Pharmacophore Tools from Accelrys
2011
Optical sensor arrays for odor recognition
1998
Convergence of generalized simulated annealing with variable step size with application towards parameter estimations of linear and nonlinear models
1991
CAESAR: A New Conformer Generation Algorithm Based on Recursive Buildup and Local Rotational Symmetry Consideration
2007
Comparison of Forward Selection, Backward Elimination, and Generalized Simulated Annealing for Variable Selection
1993
Prediction of Reduced Ion Mobility Constants of Organic Compounds from Molecular Structure
1996
Protein–Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling
2012
Prediction of gas chromatographic retention indices of alkylbenzenes
1997
Neural Network Classification and Quantification of Organic Vapors Based on Fluorescence Data from a Fiber-Optic Sensor Array
1997
Using Pharmacophore Models To Gain Insight into Structural Binding and Virtual Screening: An Application Study with CDK2 and Human DHFR
2006
Prediction of Aqueous Solubility for a Diverse Set of Heteroatom-Containing Organic Compounds Using a Quantitative Structure−Property Relationship
1996
Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing
1995
Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry
1989
Identification of Multiple Analytes Using an Optical Sensor Array and Pattern Recognition Neural Networks
1997