Citation Impact
Citing Papers
A molecular structure matching approach to efficient identification of endogenous mammalian biochemical structures
2015
A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments
2016
Computational mass spectrometry for small molecules
2013
The role of artificial intelligence in healthcare: a structured literature review
2021 Standout
Open Babel: An open chemical toolbox
2011 Standout
Quantitative structure–pharmacokinetic relationships for drug clearance by using statistical learning methods
2005
Chemogenomic approaches to rational drug design
2007
Identification of novel micropollutants in wastewater by a combination of suspect and nontarget screening
2013
Effects of Omeprazole and Genetic Polymorphism of CYP2C19 on the Clopidogrel Active Metabolite
2011
Designing antimicrobial peptides: form follows function
2011 Standout
Comparison of Salt Tolerance in Soja Based on Metabolomics of Seedling Roots
2017 Standout
PubChem Substance and Compound databases
2015 Standout
Metabolomics: beyond biomarkers and towards mechanisms
2016 Standout
Identifying Small Molecules via High Resolution Mass Spectrometry: Communicating Confidence
2014 Standout
In silico toxicology for the pharmaceutical sciences☆
2009
Current approaches and challenges for the metabolite profiling of complex natural extracts
2014
Evolutionary computation and multimodal search: A good combination to tackle molecular diversity in the field of peptide design
2006
Cytochrome P450 enzymes in drug metabolism: Regulation of gene expression, enzyme activities, and impact of genetic variation
2013 Standout
Discovery and resupply of pharmacologically active plant-derived natural products: A review
2015 Standout
Ion Mobility Derived Collision Cross Sections to Support Metabolomics Applications
2014
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
2019
Artificial intelligence in drug discovery and development
2020 Standout
Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
2010
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Azole-Based Energetic Salts
2011 Standout
Synergy of Daptomycin with Oxacillin and Other β-Lactams against Methicillin-Resistant Staphylococcus aureus
2004
Global Bayesian Models for the Prioritization of Antitubercular Agents
2008
admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET Properties
2012 Standout
Bacterial Resistance to β-Lactam Antibiotics: Compelling Opportunism, Compelling Opportunity
2005 Standout
Extended-Connectivity Fingerprints
2010 Standout
Artificial Intelligence in Chemistry: Current Trends and Future Directions
2021
Bioinformatics: The Next Frontier of Metabolomics
2014
ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs
2023 StandoutNobel
Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection
2011
Development of Reliable Aqueous Solubility Models and Their Application in Druglike Analysis
2007
Works of L. Mark Hall being referenced
QSAR Modeling Based on Structure-Information for Properties of Interest in Human Health
2005
QSAR modeling of β-lactam binding to human serum proteins
2003
No Title
2004
Development of Ecom50 and Retention Index Models for Nontargeted Metabolomics: Identification of 1,3-Dicyclohexylurea in Human Serum by HPLC/Mass Spectrometry
2012
MolFind: A Software Package Enabling HPLC/MS-Based Identification of Unknown Chemical Structures
2012
Modeling Drug Albumin Binding Affinity with E-State Topological Structure Representation
2003
Database Searching for Structural Identification of Metabolites in Complex Biofluids for Mass Spectrometry-Based Metabonomics
2009
Development of a Reverse Phase HPLC Retention Index Model for Nontargeted Metabolomics Using Synthetic Compounds
2018
QSAR Modeling of Human Serum Protein Binding with Several Modeling Techniques Utilizing Structure−Information Representation
2006