Citation Impact
Citing Papers
Expanded therapeutic potential in activity space of next-generation 5-nitroimidazole antimicrobials with broad structural diversity
2013 StandoutNobel
A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space
2019
The re-emergence of natural products for drug discovery in the genomics era
2015 Standout
Deep Learning in Drug Discovery
2015
Voyages to the (un)known: adaptive design of bioactive compounds
2008
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
2012 Standout
Docking, virtual high throughput screening and in silico fragment‐based drug design
2009
Computational Methods in Drug Discovery
2014
De Novo Drug Design
2010
Designing antimicrobial peptides: form follows function
2011 Standout
SwissParam: A fast force field generation tool for small organic molecules
2011 Standout
Artificial intelligence in drug development: present status and future prospects
2018 Standout
iScreen: world’s first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan
2011
A Priori Theoretical Prediction of Selectivity in Asymmetric Catalysis: Design of Chiral Catalysts by Using Quantum Molecular Interaction Fields
2006
Synthesis of Renewable Fine‐Chemical Building Blocks by Reductive Coupling between Furfural Derivatives and Terpenes
2013 StandoutNobel
Dynamics of Silicate Species in Solution Studied by Mass Spectrometry with Isotopically Labeled Compounds
2007
Drug design for ever, from hype to hope
2012
Paul Ehrlich's magic bullet concept: 100 years of progress
2008 Standout
New directions in library design and analysis
2008
Bioplastics for a circular economy
2022 Standout
Computer-based de novo design of drug-like molecules
2005
Copper–Zinc Alloy Nanopowder: A Robust Precious‐Metal‐Free Catalyst for the Conversion of 5‐Hydroxymethylfurfural
2015 StandoutNobel
Rings in Drugs
2014 Standout
Hybrid method of evolutionary algorithms for static and dynamic optimization problems with application to a fed-batch fermentation process
1999
UiO-66 metal organic frameworks with high contents of flexible adipic acid co-linkers
2022 StandoutNobel
Artificial intelligence in drug discovery and development
2020 Standout
Novel Approach to Structure-Based Pharmacophore Search Using Computational Geometry and Shape Matching Techniques
2008
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
2009
Differential Evolution: A Survey of the State-of-the-Art
2010 Standout
Production of phenols from lignin-derived slurry liquid using iron oxide catalyst
2013
Production of phenols from lignin via depolymerization and catalytic cracking
2012
Strategies for the Conversion of Lignin to High-Value Polymeric Materials: Review and Perspective
2015 Standout
Heteroaromatic Rings of the Future
2009
Chemicals from lignin: an interplay of lignocellulose fractionation, depolymerisation, and upgrading
2018 Standout
What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
2015
Deep Learning for Health Informatics
2016 Standout
Paving the Way for Lignin Valorisation: Recent Advances in Bioengineering, Biorefining and Catalysis
2016 Standout
Conversion of Biomass into Chemicals over Metal Catalysts
2013 Standout
CHEM21 selection guide of classical- and less classical-solvents
2015 Standout
The Medicinal Chemist’s Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates
2011 Standout
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Catalytic routes towards acrylic acid, adipic acid and ε-caprolactam starting from biorenewables
2014
Bright Side of Lignin Depolymerization: Toward New Platform Chemicals
2018 Standout
Chemical space as a source for new drugs
2010
De Novo Drug Design Using Multiobjective Evolutionary Graphs
2009
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
Lignocellulosic biomass: a sustainable platform for the production of bio-based chemicals and polymers
2015 Standout
Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds
2013
Machine Learning in Predictive Maintenance towards Sustainable Smart Manufacturing in Industry 4.0
2020 Standout
Artificial Intelligence in Drug Discovery
2018
MOARF, an Integrated Workflow for Multiobjective Optimization: Implementation, Synthesis, and Biological Evaluation
2015
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
Recent advances and applications of machine learning in solid-state materials science
2019 Standout
Quantitative Structure–Selectivity Relationships in Enantioselective Catalysis: Past, Present, and Future
2019
Recent Developments in the Chemistry of Cubic Polyhedral Oligosilsesquioxanes
2010 Standout
Computer-inspired quantum experiments
2020 StandoutNobel
In Silico Design in Homogeneous Catalysis Using Descriptor Modelling
2006
FiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass Spectrometry
2009 Standout
Metal–Organic Frameworks in Biomedicine
2011 Standout
The pros and cons of lignin valorisation in an integrated biorefinery
2014
One-Pot Synthesis of 5-(Ethoxymethyl)furfural from Glucose Using Sn-BEA and Amberlyst Catalysts
2012
Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach
2019 StandoutNobel
Selective Hydrogenation of Vegetable Oils over SiliaCatPd(0)
2012
Hybrid differential evolution with geometric mean mutation in parameter estimation of bioreaction systems with large parameter search space
2009
ZINC 15 – Ligand Discovery for Everyone
2015 Standout
Benzylamines via Iron-Catalyzed Direct Amination of Benzyl Alcohols
2015 StandoutNobel
Hydroxymethylfurfural, A Versatile Platform Chemical Made from Renewable Resources
2013 Standout
CASTp 3.0: computed atlas of surface topography of proteins
2018 Standout
Model development based on evolutionary framework for condition monitoring of a lathe machine
2015
Works of Ben McKay being referenced
Understanding Catalytic Biomass Conversion Through Data Mining
2010
A novel workflow for the inverse QSPR problem using multiobjective optimization
2006
The de novo design of median molecules within a property range of interest
2004
Steady-state modelling of chemical process systems using genetic programming
1997
Systems modelling using genetic programming
1997
Asymmetric Catalytic Ketone Hydrogenation: Relating Substrate Structure and Product Enantiomeric Excess Using QSPR
2005
Mechanistic Study of Silsesquioxane Synthesis by Mass Spectrometry and in Situ ATR FT-IR Spectroscopy
2003
A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules
2004
Oxazaborolidine mediated asymmetric ketone reduction: prediction of enantiomeric excess based on catalyst structure
2004