Citation Impact
Citing Papers
Computational approaches to chemical hazard assessment
2017
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
Filtered circular fingerprints improve either prediction or runtime performance while retaining interpretability
2016
Brain membrane lipids in major depression and anxiety disorders
2014
The re-emergence of natural products for drug discovery in the genomics era
2015 Standout
A Comparison of Bayesian Methods for Haplotype Reconstruction from Population Genotype Data
2003 Standout
Changes in Lipidome Composition during Brain Development in Humans, Chimpanzees, and Macaque Monkeys
2017 StandoutNobel
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
2012 Standout
Computational prediction of immune cell cytotoxicity
2017
Machine learning for molecular and materials science
2018 StandoutNature
Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations
2011
Predicting the Functional Effect of Amino Acid Substitutions and Indels
2012 Standout
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2018 Standout
Molecular Mechanisms of Depression: Perspectives on New Treatment Strategies
2013 Standout
An Aluminum–Nitrogen Based Lewis Pair as an Effective Catalyst for the Oligomerization of Cyanamides: Formation of Acyclic CN Oligomers Instead of Thermodynamically Favored Cyclic Aromatic Trimers
2013
NAADP-dependent Ca2+ signaling regulates Middle East respiratory syndrome-coronavirus pseudovirus translocation through the endolysosomal system
2018
Cystic fibrosis genetics: from molecular understanding to clinical application
2014 Standout
Selecting Relevant Descriptors for Classification by Bayesian Estimates: A Comparison with Decision Trees and Support Vector Machines Approaches for Disparate Data Sets
2011
Inhibitors of NF-κB signaling: 785 and counting
2006
Virtual screening and repositioning of inconclusive molecules of beta-lactamase Bioassays—A data mining approach
2017
Therapy of CF-Patients with Amitriptyline and Placebo - a Randomised, Double-Blind, Placebo-Controlled Phase IIb Multicenter, Cohort-Study
2013 Standout
The ChEMBL database in 2017
2016 Standout
Virtual Exploration of the Small‐Molecule Chemical Universe below 160 Daltons
2005
Applications of machine learning in drug discovery and development
2019 Standout
Reactants, products, and transition states of elementary chemical reactions based on quantum chemistry
2020
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
2017 Standout
vNN Web Server for ADMET Predictions
2017
Introduction to NF-κB: players, pathways, perspectives
2006 Standout
Understanding the hepatitis C virus life cycle paves the way for highly effective therapies
2013 StandoutNobel
Functional Inhibitors of Acid Sphingomyelinase (FIASMAs): A Novel Pharmacological Group of Drugs with Broad Clinical Applications
2010
Characterization of spike glycoprotein of SARS-CoV-2 on virus entry and its immune cross-reactivity with SARS-CoV
2020 Standout
A mouse model for the delta F508 allele of cystic fibrosis.
1995 StandoutNobel
Predicting drug metabolism: experiment and/or computation?
2015
Exploring enantioselective molecular recognition mechanisms with chemoinformatic techniques
2009
Impact of high-throughput screening in biomedical research
2011 Standout
Redox Regulation of Nuclear Post-Translational Modifications During NF-κB Activation
2009
Virtual Exploration of the Chemical Universe up to 11 Atoms of C, N, O, F: Assembly of 26.4 Million Structures (110.9 Million Stereoisomers) and Analysis for New Ring Systems, Stereochemistry, Physicochemical Properties, Compound Classes, and Drug Discovery
2007
Pushing the frontiers of density functionals by solving the fractional electron problem
2021 StandoutScienceNobel
Anticancer Activity Expressed by a Library of 2,9-Diazaperopyrenium Dications
2015 StandoutNobel
Aggresomes: A Cellular Response to Misfolded Proteins
1998 Standout
Outside the Safe Operating Space of the Planetary Boundary for Novel Entities
2022 Standout
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Computer Simulation of Liquids
2017 Standout
Mechanisms of Amine Accumulation in, and Egress from, Lysosomes
2009
Azole-Based Energetic Salts
2011 Standout
Solving the Nonalignment of Methods and Approaches Used in Microplastic Research to Consistently Characterize Risk
2020
The EMBL-EBI search and sequence analysis tools APIs in 2019
2019 Standout
Unbiased probing of the entire hepatitis C virus life cycle identifies clinical compounds that target multiple aspects of the infection
2009
Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule
2010
Insights into Molecular Basis of Cytochrome P450 Inhibitory Promiscuity of Compounds
2011
Toward a Global Understanding of Chemical Pollution: A First Comprehensive Analysis of National and Regional Chemical Inventories
2020 Standout
Materials Cartography: Representing and Mining Materials Space Using Structural and Electronic Fingerprints
2014
Synthesis of trinorbornane
2017 StandoutNobel
Antiviral Stilbene 1,2-Diamines Prevent Initiation of Hepatitis C Virus RNA Replication at the Outset of Infection
2011 StandoutNobel
Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers
2011
Signal transduction by reactive oxygen species
2011 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
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
Chloride secretion in the trachea of null cystic fibrosis mice: the effects of transfection with pTrial10‐CFTR2.
1997 StandoutNobel
PubChem 2023 update
2022 Standout
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Predictive and mechanistic multivariate linear regression models for reaction development
2018
The broadening reach of frustrated Lewis pair chemistry
2016 StandoutScience
Cell-type-specific and hypoxia-inducible expression of the human erythropoietin gene in transgenic mice.
1991 StandoutNobel
Search for Catalysts by Inverse Design: Artificial Intelligence, Mountain Climbers, and Alchemists
2019
Reengineering Antibiotics to Combat Bacterial Resistance: Click Chemistry [1,2,3]‐Triazole Vancomycin Dimers with Potent Activity against MRSA and VRE
2016 StandoutNobel
Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions
2018
PubChem 2019 update: improved access to chemical data
2018 Standout
Identification of markers linked to disease-resistance genes by bulked segregant analysis: a rapid method to detect markers in specific genomic regions by using segregating populations.
1991 Standout
A Novel Approach for Predicting P-Glycoprotein (ABCB1) Inhibition Using Molecular Interaction Fields
2011
A cell protection screen reveals potent inhibitors of multiple stages of the hepatitis C virus life cycle
2010 StandoutNobel
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
Conformational Effects on the Passive Membrane Permeability of Synthetic Macrocycles
2022
Natural Products as Sources of New Drugs from 1981 to 2014
2016 Standout
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
Lung Infections Associated with Cystic Fibrosis
2002 Standout
Impaired cell volume regulation in intestinal crypt epithelia of cystic fibrosis mice.
1995 StandoutNobel
Generation of Anti-trypanosomal Agents through Concise Synthesis and Structural Diversification of Sesquiterpene Analogues
2011 StandoutNobel
Works of Lothar Terfloth being referenced
Neural networks and genetic algorithms in drug design
2001
Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors
2009
Identification of Novel Functional Inhibitors of Acid Sphingomyelinase
2011
Identification of New Functional Inhibitors of Acid Sphingomyelinase Using a Structure−Property−Activity Relation Model
2007
Development of a Structural Model for NF-κB Inhibition of Sesquiterpene Lactones Using Self-Organizing Neural Networks
2006
Self-Organizing Maps for Identification of New Inhibitors of P-Glycoprotein
2007
Neural networks as data mining tools in drug design
2003
Ligand-Based Models for the Isoform Specificity of Cytochrome P450 3A4, 2D6, and 2C9 Substrates
2007
New Publicly Available Chemical Query Language, CSRML, To Support Chemotype Representations for Application to Data Mining and Modeling
2015
Comparison of Multilabel and Single-Label Classification Applied to the Prediction of the Isoform Specificity of Cytochrome P450 Substrates
2009
QSAR Modeling: Where Have You Been? Where Are You Going To?
2013
First Metal Complexes of Oligonitrile Ligands: Palladium(II) Complexes ofN-Methoxycarbonyl- andN-Thiobenzoyl-1,3,5,7-tetraazaoctatetraenes
1999