Citation Impact
Citing Papers
Navigating the protein fitness landscape with Gaussian processes
2012 StandoutNobel
Modelling of anti‐HSV activity of lactoferricin analogues using amino acid descriptors
2004
Activating Smoothened mutations in sporadic basal-cell carcinoma
1998 StandoutNature
Analysing quadratic effects of formative constructs by means of variance-based structural equation modelling
2011
VaxiJen: a server for prediction of protective antigens, tumour antigens and subunit vaccines
2007 Standout
Centering, scaling, and transformations: improving the biological information content of metabolomics data
2006 Standout
antiSMASH 7.0: new and improved predictions for detection, regulation, chemical structures and visualisation
2023 Standout
Nano-based smart pesticide formulations: Emerging opportunities for agriculture
2018 Standout
Engineering proteinase K using machine learning and synthetic genes
2007
Towards the chemometric dissection of peptide – HLA-A*0201 binding affinity: comparison of local and global QSAR models
2005
Classification of G‐protein coupled receptors by alignment‐independent extraction of principal chemical properties of primary amino acid sequences
2002
Using chemometrics for navigating in the large data sets of genomics, proteomics, and metabonomics (gpm)
2004
Microemulsion-based media as novel drug delivery systems
2000 Standout
Mathematical modelling of insect neuropeptide potencies. Are quantitatively predictive models possible?
2000
antiSMASH: rapid identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genome sequences
2011 Standout
VolSurf: a new tool for the pharmacokinetic optimization of lead compounds
2000
NRPSpredictor2—a web server for predicting NRPS adenylation domain specificity
2011
Designing antimicrobial peptides: form follows function
2011 Standout
Using Raman spectroscopy to characterize biological materials
2016 Standout
The Ectodomain of the Luteinizing Hormone Receptor Interacts with Exoloop 2 to Constrain the Transmembrane Region
2002 StandoutNobel
Supervised pattern recognition in food analysis
2007
PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
2010 Standout
Design, synthesis and evaluation of peptide inhibitors of Mycobacterium tuberculosis ribonucleotide reductase
2007
Fish bioaccumulation and biomarkers in environmental risk assessment: a review
2002 Standout
Conformational complexity of G-protein-coupled receptors
2007 StandoutNobel
Activation of the Luteinizing Hormone Receptor Following Substitution of Ser-277 with Selective Hydrophobic Residues in the Ectodomain Hinge Region
2000 StandoutNobel
Kinetic and Affinity Predictions of a Protein-Protein Interaction Using Multivariate Experimental Design
2002
Beware of q2!
2002 Standout
Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation
2011 StandoutNatureNobel
Directed enzyme evolution: climbing fitness peaks one amino acid at a time
2009 StandoutNobel
Subacute Toxicity of a Mixture of Nine Chemicals in Rats: Detecting Interactive Effects with a Fractionated Two-Level Factorial Design☆
1997
Discovery and resupply of pharmacologically active plant-derived natural products: A review
2015 Standout
Infrared spectroscopy of proteins
2007 Standout
Toxicological Evaluation and Risk Assessment of Chemical Mixtures
1998
Artificial neural networks: fundamentals, computing, design, and application
2000 Standout
Fingerprinting food: current technologies for the detection of food adulteration and contamination
2012 Standout
The GIFI approach to non‐linear PLS modeling
2001
Multivariate modeling of pcb bioaccumulation in three-spined stickleback (Gasterosteus aculeatus)
1996
Rings in Drugs
2014 Standout
The use of quantum chemical methods in corrosion inhibitor studies
2008 Standout
Peptide Antimicrobial Agents
2006 Standout
A comparison of quantitative structure-activity relationships for the effect of benzoic and cinnamic acids on Listeria monocytogenes using multiple linear regression, artificial neural network and fuzzy systems
1997
A PLS kernel algorithm for data sets with many variables and fewer objects. Part 1: Theory and algorithm
1994
Principles of Proper Validation: use and abuse of re‐sampling for validation
2010
Study of adsorption processes of model drugs at supercritical conditions using partial least squares regression
2002
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design
2018 Standout
Azole-Based Energetic Salts
2011 Standout
Latent variable multivariate regression modeling
1999
New Chemical Descriptors Relevant for the Design of Biologically Active Peptides. A Multivariate Characterization of 87 Amino Acids
1998
Cross-validation as the objective function for variable-selection techniques
2003
Prediction of Drug Absorption Using Multivariate Statistics
2000 Standout
The activation process of the α 1B -adrenergic receptor: Potential role of protonation and hydrophobicity of a highly conserved aspartate
1997
Time-Resolved FT-IR Spectroscopy of Chemical Reactions in Solution by Fast Diffusion-Based Mixing in a Micromachined Flow Cell
2001
Bioisosterism: A Rational Approach in Drug Design
1996
Rational Combinatorial Library Design. 2. Rational Design of Targeted Combinatorial Peptide Libraries Using Chemical Similarity Probe and the Inverse QSAR Approaches
1998
The parsimony principle applied to multivariate calibration
1993
Nanoencapsulation, Nano-guard for Pesticides: A New Window for Safe Application
2016 Standout
Chem-Bioinformatics and QSAR: A Review of QSAR Lacking Positive Hydrophobic Terms
2001 Standout
Chemography: The Art of Navigating in Chemical Space
2001
Analysis of Peptide−Protein Binding Using Amino Acid Descriptors: Prediction and Experimental Verification for Human Histocompatibility Complex HLA-A*0201
2005
Decentralized Fault Diagnosis of Large-Scale Processes Using Multiblock Kernel Partial Least Squares
2009
PLS-regression: a basic tool of chemometrics
2001 Standout
Structure−Property Model for Membrane Partitioning of Oligopeptides
1999
Evaluation of Dynamic Polar Molecular Surface Area as Predictor of Drug Absorption: Comparison with Other Computational and Experimental Predictors
1998
Oxadiazoles in Medicinal Chemistry
2011 Standout
Multivariate SPC Charts for Monitoring Batch Processes
1995
Using PLS path modeling in new technology research: updated guidelines
2016 Standout
Missing data methods in PCA and PLS: Score calculations with incomplete observations
1996
Principal Components Describing Biological Activities and Molecular Diversity of Heterocyclic Aromatic Ring Fragments
1996
Low-Level Exposure to Multiple Chemicals: Reason for Human Health Concerns?
2007 Standout
Fluorine in Pharmaceuticals: Looking Beyond Intuition
2007 StandoutScience
Preprocessing peptide sequences for multivariate sequence-property analysis
1998
Modelling the anti‐herpes simplex virus activity of small cationic peptides using amino acid descriptors
2005
Quantitative Structure−Activity Relationship Modeling of Peptide and Protein Behavior as a Function of Amino Acid Composition
2000
Catalytic Dehydrogenation of Light Alkanes on Metals and Metal Oxides
2014 Standout
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
Polypeptide sequence property relationships in Escherichia coli based on auto cross covariances
1995
A Review on Basic Data-Driven Approaches for Industrial Process Monitoring
2014 Standout
Partial Least Squares Structural Equation Modeling: Rigorous Applications, Better Results and Higher Acceptance
2013 Standout
Visualization of GC/TOF-MS-Based Metabolomics Data for Identification of Biochemically Interesting Compounds Using OPLS Class Models
2007 Standout
A family of thermostable fungal cellulases created by structure-guided recombination
2009 StandoutNobel
Three-way analyses problems and prospects
1992
Consistent Partial Least Squares Path Modeling1
2015 Standout
Prediction of heating values of biomass fuel from elemental composition
2005 Standout
Chemistry of Biologically Important Synthetic Organoselenium Compounds
2001 Standout
Improved analysis of multivariate data by variable stability scaling: application to NMR-based metabolic profiling
2003
Fusion of Mass Spectrometry-Based Metabolomics Data
2005
PARAFAC. Tutorial and applications
1997 Standout
Emerging Targets in Photopharmacology
2016 StandoutNobel
Experimental design and partial least squares in the study of complex mixtures: microemulsions as drug carriers
1993
DNA and peptide sequences and chemical processes multivariately modelled by principal component analysis and partial least-squares projections to latent structures
1993
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on thek-Nearest-Neighbor Principle
1999
Anti herpes simplex virus activity of lactoferrin/lactoferricin – an example of antiviral activity of antimicrobial protein/peptide
2005
A comparison of quantitative structure-activity relationships for the effect of benzoic and cinnamic acids on Listeria monocytogenes using multiple linear regression, artificial neural network and fuzzy systems
1997
Multivariate design of process experiments (M-DOPE)
1994
Octan-1-ol–water partition coefficients of zwitterionic α-amino acids. Determination by centrifugal partition chromatography and factorization into steric/hydrophobic and polar components
1992
Nanobodies: Natural Single-Domain Antibodies
2013 Standout
Prediction of Nucleating Sequences from Amyloidogenic Propensities of Tau-Related Peptides
2006
Synopsis of Some Recent Tactical Application of Bioisosteres in Drug Design
2011 Standout
Quantum-Chemical Descriptors in QSAR/QSPR Studies
1996
In situ UV–Vis diffuse reflectance spectroscopy — on line activity measurements of supported chromium oxide catalysts: relating isobutane dehydrogenation activity with Cr-speciation via experimental design
2000
Works of Bert Skagerberg being referenced
Peptide QSAR on Substance P Analogues, Enkephalins, and Bradykinins Containing L- and D-Amino Acids.
1990
Minimum analogue peptide sets (MAPS) for quantitative structure‐activity relationships
1991
Principal Properties for Aromatic Substituents. A Multivariate Approach for Design in QSAR
1989
A STRATEGY FOR RANKING ENVIRONMENTALLY OCCURRING CHEMICALS. PART III: MULTIVARIATE QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS FOR HALOGENATED ALIPHATICS
1990
Nonlinear PLS modeling
1989
A strategy for ranking environmentally occurring chemicals. Part III: Multivariate quantitative structure-activity relationships for halogenated aliphatics
1990
Multivariate data analysis applied to low-density polyethylene reactors
1992
PLS response surface optimization: The CARSO procedure
1989
Peptide quantitative structure-activity relationships, a multivariate approach
1987
Principal property values for six non-natural amino acids and their application to a structure–activity relationship for oxytocin peptide analogues
1987
Multivariate design
1986
Evaluation Techniques for Two-Way Data from in Situ Fourier Transform Mid-Infrared Reaction Monitoring in Aqueous Solution
1998
Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)
1992