Citation Impact
Citing Papers
Comprehensive computational design of ordered peptide macrocycles
2017 StandoutScienceNobel
Structure, Function, and Inhibition of O6-Alkylguanine-DNA Alkyltransferase
1995
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
Comprehensive genomic characterization defines human glioblastoma genes and core pathways
2008 StandoutNature
An Integrated Approach for Analysis of the DNA Damage Response in Mammalian Cells
2015 StandoutNobel
In silico ADME/T modelling for rational drug design
2015
Statistical approaches for analyzing mutational spectra: some recommendations for categorical data.
1994
ADMET in silico modelling: towards prediction paradise?
2003
Green Chemistry: Principles and Practice
2009 Standout
Synthesis of 1,2,3,4‐Tetrahydroisoquinolines by Microreactor‐Mediated Thermal Isomerization of Laterally Lithiated Arylaziridines
2013
Inactivation of the DNA-Repair GeneMGMTand the Clinical Response of Gliomas to Alkylating Agents
2000 Standout
Pharmaceuticals in the aquatic environment––a comparison of risk assessment strategies
2004
Mutagenic damage to mammalian cells by therapeutic alkylating agents
1996
How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)
2009
Machine learning for molecular and materials science
2018 StandoutNature
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2018 Standout
Minimal Methylated Substrate and Extended Substrate Range of Escherichia coli AlkB Protein, a 1-Methyladenine-DNA Dioxygenase
2003 StandoutNobel
Electrografting: a powerful method for surface modification
2011 Standout
Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites
2021 StandoutNobel
Mitosis-specific phosphorylation of p60c-src by p34cdc2-associated protein kinase
1989 StandoutNobel
Distributed structure-searchable toxicity (DSSTox) public database network: a proposal
2002
Electrochemical treatment of a simple azodye and analysis of the degradation products using high performance liquid chromatography-diode array detection-tandem mass spectrometry
2007
SuperToxic: a comprehensive database of toxic compounds
2008
Sex differences in immune responses
2016 Standout
Review of mutagenicity of monocyclic aromatic amines: quantitative structure–activity relationships
1997
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry
2020
vNN Web Server for ADMET Predictions
2017
In silico prediction of drug toxicity
2003
Exploring enantioselective molecular recognition mechanisms with chemoinformatic techniques
2009
Assessing protein disorder and induced folding
2005
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
RuCl2(dmso)4 Catalyzes the Solvent‐Free Indirect Friedländer Synthesis of Polysubstituted Quinolines from Alcohols
2007
Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
2011 Standout
Comprehensive Study of Density Functional Theory Based Properties for Group 14 Atoms and Functional Groups, −XY3 (X = C, Si, Ge, Sn, Pb, Element 114; Y = CH3, H, F, Cl, Br, I, At)
2005
ISOLATION AND CHARACTERIZATION OF COVALENTLY CLOSED CIRCULAR DNA ASSOCIATED WITH CHROMOSOMAL AND MEMBRANE FRACTION FROM STREPTOMYCES AMBOFACIENS
1982 StandoutNobel
Cytotoxicity of selected imidazolium-derived ionic liquids in the human Caco-2 cell line. Sub-structural toxicological interpretation through a QSAR study
2008
Azole-Based Energetic Salts
2011 Standout
Electrophilicity Index
1999 Standout
Benchmark Data Set for in Silico Prediction of Ames Mutagenicity
2009
Electro-Fenton Process and Related Electrochemical Technologies Based on Fenton’s Reaction Chemistry
2009 Standout
Practical Aspects of Computational Chemistry
2009
The Hitchhiker’s Guide to Flow Chemistry
2017 Standout
Expression of v-src induces aberrant development and twinning in chimaeric mice
1991 StandoutNobel
Chem-Bioinformatics and QSAR: A Review of QSAR Lacking Positive Hydrophobic Terms
2001 Standout
Normal Somatic Hypermutation of Ig Genes in the Absence of 8-Hydroxyguanine-DNA Glycosylase
2003 StandoutNobel
Scopy: an integrated negative design python library for desirable HTS/VS database design
2020
Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
2014
Next Generation of Fluorine-Containing Pharmaceuticals, Compounds Currently in Phase II–III Clinical Trials of Major Pharmaceutical Companies: New Structural Trends and Therapeutic Areas
2016 Standout
Differentiation of PC12 phaeochromocytoma cells induced by v-src oncogene
1985 Nature
Conceptual Density Functional Theory
2003 Standout
Streptomyces lividans RNA polymerase recognizes and uses Escherichia coli transcriptional signals
1984
Electrophilicity Index
2006 Standout
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
The Liver Toxicity Knowledge Base (LKTB) and drug-induced liver injury (DILI) classification for assessment of human liver injury
2017
ProTox-II: a webserver for the prediction of toxicity of chemicals
2018 Standout
Quantum mechanical origin of QSAR: theory and applications
2000
Classification of Intrinsically Disordered Regions and Proteins
2014 Standout
Hydrogen Autotransfer in the N-Alkylation of Amines and Related Compounds using Alcohols and Amines as Electrophiles
2009 Standout
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Predictive and mechanistic multivariate linear regression models for reaction development
2018
Metal–organic frameworks: functional luminescent and photonic materials for sensing applications
2017 Standout
Transformation of Arthrobacter and studies on the transcription of the Arthrobacter ermA gene in Streptomyces lividans and Escherichia coli
1987 StandoutNobel
Green and Sustainable Solvents in Chemical Processes
2018 Standout
Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists
2019
Single and Coupled Electrochemical Processes and Reactors for the Abatement of Organic Water Pollutants: A Critical Review
2015 Standout
Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions
2018
Pharmaceuticals of Emerging Concern in Aquatic Systems: Chemistry, Occurrence, Effects, and Removal Methods
2019 Standout
Growth Factors and Cancer
1991 StandoutScience
Preparation of amine free silica-coated Agl nanoparticles with modified Stöber method
2008
Mutational cloning in Streptomyces and the isolation of antibiotic production genes
1983
A luminescent metal–organic framework for highly selective sensing of nitrobenzene and aniline
2016
Catalysis in Ionic Liquids
2007 Standout
Defective processing of methylated single-stranded DNA by E. coli alkB mutants
2000 StandoutNobel
Sex Disparities in Cancer Incidence by Period and Age
2009
Transition-Metal-Free Indirect Friedländer Synthesis of Quinolines from Alcohols
2008
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
Predicting Hepatotoxicity Using ToxCastin VitroBioactivity and Chemical Structure
2015
Discovery of Daclatasvir, a Pan-Genotypic Hepatitis C Virus NS5A Replication Complex Inhibitor with Potent Clinical Effect
2014
A ketone functionalized luminescent terbium metal–organic framework for sensing of small molecules
2014
Conformational Effects on the Passive Membrane Permeability of Synthetic Macrocycles
2022
Core/Shell Nanoparticles: Classes, Properties, Synthesis Mechanisms, Characterization, and Applications
2011 Standout
Gene expression in Streptomyces: Construction and application of promoter-probe plasmid vectors in Streptomyces lividans
1982
Cloning of antibiotic resistance and nutritional genes in streptomycetes
1982
PubChem in 2021: new data content and improved web interfaces
2020 Standout
Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development
2016
Two-Prong Inhibitors for Human Carbonic Anhydrase II
2004
Use of the HSAB principle in quantitative structure-activity relationships in toxicological research: Application to the genotoxicity of chlorinated hydrocarbons
1999
Triazenes as a Stable Diazonium Source for Use in Functionalizing Carbon Nanotubes in Aqueous Suspensions
2006
Streptomyces contain Escherichia coli-type A + T-rich promoters having novel structural features
1985
Dehydrogenation as a Substrate-Activating Strategy in Homogeneous Transition-Metal Catalysis
2009 Standout
In silico toxicology: computational methods for the prediction of chemical toxicity
2016
The Nerve Growth Factor 35 Years Later
1987 StandoutScienceNobel
Production of ‘hybrid’ antibiotics by genetic engineering
1985 StandoutNatureNobel
Quantum-Chemical Descriptors in QSAR/QSPR Studies
1996
Oxidation Processes in Water Treatment: Are We on Track?
2018
Advancing Computational Toxicology in the Big Data Era by Artificial Intelligence: Data-Driven and Mechanism-Driven Modeling for Chemical Toxicity
2019
Nerve growth factor as a paradigm for other polypeptide growth factors
1986 StandoutNobel
Multiple Binding Modes of Inhibitors to Carbonic Anhydrases: How to Design Specific Drugs Targeting 15 Different Isoforms?
2012 Standout
Works of Romualdo Benigni being referenced
Structure alerts for carcinogenicity, and the Salmonella assay system: A novel insight through the chemical relational databases technology
2008
Mutagenicity, Carcinogenicity, and Other End points
2012
Electrophilicity as measured by Ke: molecular determinants, relationship with other physical-chemical and quantum mechanical parameters, and ability to predict rodent carcinogenicity
1992
The first US National Toxicology Program exercise on the prediction of rodent carcinogenicity: definitive results
1997
Social sexual inequality and sex difference in cancer incidence
2006
The Expanding Role of Predictive Toxicology: An Update on the (Q)SAR Models for Mutagens and Carcinogens
2007
Quantitative Structure-Based Modeling Applied to Characterization and Prediction of Chemical Toxicity
1998
Endocrine Disruptors: Data-based survey of in vivo tests, predictive models and the Adverse Outcome Pathway
2017
The induction of mitotic chromosome malsegregation in Aspergillus nidulans. quantitative structure activity relationship (QSAR) analysis with chlorinated aliphatic hydrocarbons
1992
A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH
2013
Multivariate statistical analysis of mutational spectra of alkylating agents
1992
Carcinogenicity of the aromatic amines: from structure–activity relationships to mechanisms of action and risk assessment
2002
Predictive Models for Carcinogenicity and Mutagenicity: Frameworks, State-of-the-Art, and Perspectives
2009
Structure—activity studies of chemical carcinogens: use of an electrophilic reactivity parameter in a new QSAR model
1989
Molecular Similarity Matrixes and Quantitative Structure-Activity Relationships: A Case Study with Methodological Implications
1995
Designing Safer Drugs: (Q)SAR-Based Identification of Mutagens and Carcinogens
2003
Quantitative structure-activity relationship (QSAR) studies of mutagens and carcinogens
1996
Computer‐assisted analysis of interlaboratory Ames test variability
1988
Simple and α,β-unsaturated aldehydes: Correct prediction of genotoxic activity through structure-activity relationship models
2005
QSAR models for both mutagenic potency and activity: Application to nitroarenes and aromatic amines
1994
Nongenotoxic Carcinogenicity of Chemicals: Mechanisms of Action and Early Recognition through a New Set of Structural Alerts
2013
Quantitative structure-activity relationships: principles, and applications to mutagenicity and carcinogenicity
1989
AI and SAR approaches for predicting chemical carcinogenicity: Survey and status report
2002
Estimate of the Genome Size by Renaturation Studies in Streptomyces
1975
Toxicity Mode‐of‐action: Discrimination via Infrared Spectra And Eigenvalues of the Modified Adjacency Matrix
2003
Predictivity of QSAR
2008
Expression of transformation-associated traits in the myogenic cell lines L6 and L8
1982
Mechanisms of Chemical Carcinogenicity and Mutagenicity: A Review with Implications for Predictive Toxicology
2011
Deriving a Quantitative Chirality Measure from Molecular Similarity Indices
2000
QSAR Modeling: Where Have You Been? Where Are You Going To?
2013
Estimate of the Genome Size by Renaturation Studies in Streptomyces
1975
Quantitative Structure−Activity Relationships of Mutagenic and Carcinogenic Aromatic Amines
2000
Nonlinear Signal Analysis Methods in the Elucidation of Protein Sequence−Structure Relationships
2002
Structure−Activity Relationship Studies of Chemical Mutagens and Carcinogens: Mechanistic Investigations and Prediction Approaches
2005