QSAR Models for Active Substances against Pseudomonas aeruginosa Using Disk-Diffusion Test Data

Analysis of the Clinical Effect of Combined Drug Susceptibility to Guide Medication for Carbapenem-Resistant Klebsiella pneumoniae Patients Based on the Kirby–Bauer Disk Diffusion Method

(2021) Huijuan Yao et al.   Infection and Drug Resistance

In Silico Strategies in Tuberculosis Drug Discovery

(2020) Stephani Joy Y. Macalino et al.   MOLECULES

Performance Analysis of Boosting Classifiers in Recognizing Activities of Daily Living

(2020) Saifur Rahman et al.   International Journal of Environmental Research and Public Health

Fault diagnosis using novel AdaBoost based discriminant locality preserving projection with resamples

(2020) Yan-Lin He et al.   ENGINEERING APPLICATIONS OF ARTIFICIAL INTELLIGENCE

LDA–GA–SVM: improved hepatocellular carcinoma prediction through dimensionality reduction and genetically optimized support vector machine

(2020) Liaqat Ali et al.   NEURAL COMPUTING & APPLICATIONS

Predictive modeling of aryl hydrocarbon receptor (AhR) agonism

(2020) Elizabeth Goya-Jorge et al.   CHEMOSPHERE

Saagar–A New, Extensible Set of Molecular Substructures for QSAR/QSPR and Read-Across Predictions

(2020) Alexander Y. Sedykh et al.   CHEMICAL RESEARCH IN TOXICOLOGY

On Using Linear Diophantine Equations for in-Parallel Hiding of Decision Tree Rules

(2019) Georgios Feretzakis et al.   Entropy

The Concept of an Ideal Antibiotic: Implications for Drug Design

(2019) Márió Gajdács   MOLECULES

Stacked Generalization with Applicability Domain Outperforms Simple QSAR on in Vitro Toxicological Data

(2019) Ingrid Grenet et al.   Journal of Chemical Information and Modeling

Don't Get Wound Up: Revised Fluoroquinolone Breakpoints for Enterobacteriaceae and Pseudomonas aeruginosa

(2019) Tam T. Van et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Antibiotic resistance in Pseudomonas aeruginosa – mechanisms, epidemiology and evolution

(2019) João Botelho et al.   DRUG RESISTANCE UPDATES

In silico toxicity evaluation of dioxins using structure–activity relationship (SAR) and two-dimensional quantitative structure–activity relationship (2D-QSAR)

(2019) Hong Yang et al.   ARCHIVES OF TOXICOLOGY

N-Benzyl Derivatives of Long-Chained 4-Amino-7-chloro-quionolines as Inhibitors of Pyocyanin Production in Pseudomonas aeruginosa

(2019) Ivana Aleksic et al.   ACS Chemical Biology

Construction of Quantitative Structure Activity Relationship (QSAR) Models to Predict Potency of Structurally Diversed Janus Kinase 2 Inhibitors

(2019) Saw Simeon et al.   MOLECULES

Machine learning algorithm validation with a limited sample size

(2019) Andrius Vabalas et al.   PLoS One

Should Health Care Demand Interpretable Artificial Intelligence or Accept “Black Box” Medicine?

(2019) Fei Wang et al.   ANNALS OF INTERNAL MEDICINE

Updates on the pathogenicity status of Pseudomonas aeruginosa

(2018) Mohd W. Azam et al.   DRUG DISCOVERY TODAY

QSAR modelling: a therapeutic patent review 2010-present

(2018) Amit Kumar Halder et al.   EXPERT OPINION ON THERAPEUTIC PATENTS

The continued value of disk diffusion for assessing antimicrobial susceptibility in clinical laboratories: report from the Clinical and Laboratory Standards Institute Methods Development and Standardization Working Group

(2018) Romney M. Humphries et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Discovery, research, and development of new antibiotics: the WHO priority list of antibiotic-resistant bacteria and tuberculosis

(2018) Evelina Tacconelli et al.   LANCET INFECTIOUS DISEASES

A comparative evaluation of outlier detection algorithms: Experiments and analyses

(2018) Rémi Domingues et al.   PATTERN RECOGNITION

Combining machine learning models of in vitro and in vivo bioassays improves rat carcinogenicity prediction

(2018) Davy Guan et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Mordred: a molecular descriptor calculator

(2018) Hirotomo Moriwaki et al.   Journal of Cheminformatics

How to judge whether QSAR/read-across predictions can be trusted: a novel approach for establishing a model's applicability domain

(2018) A. Gajewicz   Environmental Science-Nano

Ensemble of machine learning algorithms using the stacked generalization approach to estimate the warfarin dose

(2018) Zhiyuan Ma et al.   PLoS One

Antibiotic resistance in Pseudomonas aeruginosa: mechanisms and alternative therapeutic strategies

(2018) Zheng Pang et al.   BIOTECHNOLOGY ADVANCES

Advances and challenges in drug design against tuberculosis: application of in silico approaches

(2018) Alexey Aleksandrov et al.   Expert Opinion on Drug Discovery

Decision Tree for Early Detection of Cognitive Impairment by Community Pharmacists

(2018) Maria Teresa Climent et al.   Frontiers in Pharmacology

Antimicrobial combination treatment including ciprofloxacin decreased the mortality rate of Pseudomonas aeruginosa bacteraemia: a retrospective cohort study

(2017) M. Paulsson et al.   EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES

Feature selection based on FDA and F-score for multi-class classification

(2017) QingJun Song et al.   EXPERT SYSTEMS WITH APPLICATIONS

3D-QSAR, Molecular Docking and Molecular Dynamics Simulation of Pseudomonas aeruginosa LpxC Inhibitors

(2017) Ke Zuo et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Comparison of Deep Learning With Multiple Machine Learning Methods and Metrics Using Diverse Drug Discovery Data Sets

(2017) Alexandru Korotcov et al.   MOLECULAR PHARMACEUTICS

Fast Gaussian Naïve Bayes for searchlight classification analysis

(2017) Marlis Ontivero-Ortega et al.   NEUROIMAGE

QSAR models for prediction study of HIV protease inhibitors using support vector machines, neural networks and multiple linear regression

(2017) Rachid Darnag et al.   Arabian Journal of Chemistry

Pseudomonas aeruginosa Lifestyle: A Paradigm for Adaptation, Survival, and Persistence

(2017) M. Fata Moradali et al.   Frontiers in Cellular and Infection Microbiology

Have artificial neural networks met expectations in drug discovery as implemented in QSAR framework?

(2016) Dimitar Dobchev et al.   Expert Opinion on Drug Discovery

Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents

(2015) Alejandro Speck-Planche et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

The increasing threat of Pseudomonas aeruginosa high-risk clones

(2015) Antonio Oliver et al.   DRUG RESISTANCE UPDATES

Quantitative structure–activity relationship: promising advances in drug discovery platforms

(2015) Tao Wang et al.   Expert Opinion on Drug Discovery

Comparative Analysis of QSAR-based vs. Chemical Similarity Based Predictors of GPCRs Binding Affinity

(2015) Man Luo et al.   Molecular Informatics

FAF-Drugs3: a web server for compound property calculation and chemical library design

(2015) David Lagorce et al.   NUCLEIC ACIDS RESEARCH

A lazy learning-based QSAR classification study for screening potential histone deacetylase 8 (HDAC8) inhibitors

(2015) G.P. Cao et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Development of new antibiotics: taking off finally?

(2015) E Bettiol et al.   SWISS MEDICAL WEEKLY

Getting Things in Order: An Introduction to theRPackageseriation

(2015) Michael Hahsler et al.   Journal of Statistical Software

Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions

(2014) D.-S. Cao et al.   BIOINFORMATICS

Assessment of Etest as an Alternative to Agar Dilution for Antimicrobial Susceptibility Testing of Neisseria gonorrhoeae

(2014) H. Liu et al.   JOURNAL OF CLINICAL MICROBIOLOGY

Mutual Information between Discrete and Continuous Data Sets

(2014) Brian C. Ross   PLoS One

Comparing Machine Learning Classifiers for Object-Based Land Cover Classification Using Very High Resolution Imagery

(2014) Yuguo Qian et al.   Remote Sensing

Pseudomonas aeruginosa biofilm: Potential therapeutic targets

(2013) Garima Sharma et al.   BIOLOGICALS

Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals

(2013) Alejandro Speck-Planche et al.   BIOORGANIC & MEDICINAL CHEMISTRY

A novel two-step QSAR modeling work flow to predict selectivity and activity of HDAC inhibitors

(2013) Lingling Zhao et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Support vector machines for drug discovery

(2013) Kathrin Heikamp et al.   Expert Opinion on Drug Discovery

A review of feature selection methods based on mutual information

(2013) Jorge R. Vergara et al.   NEURAL COMPUTING & APPLICATIONS

Comparability of Mixed IC50 Data – A Statistical Analysis

(2013) Tuomo Kalliokoski et al.   PLoS One

Smoothness without Smoothing: Why Gaussian Naive Bayes Is Not Naive for Multi-Subject Searchlight Studies

(2013) Rajeev D. S. Raizada et al.   PLoS One

Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictions

(2013) Faizan Sahigara et al.   Journal of Cheminformatics

Towards a gold standard: regarding quality in public domain chemistry databases and approaches to improving the situation

(2012) Antony J. Williams et al.   DRUG DISCOVERY TODAY

Comparative study on classification performance between support vector machine and logistic regression

(2012) Abdallah Bashir Musa   International Journal of Machine Learning and Cybernetics

Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data

(2011) Sorel Muresan et al.   DRUG DISCOVERY TODAY

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

4D-QSAR: Perspectives in Drug Design

(2010) Carolina H. Andrade et al.   MOLECULES

Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives

(2008) Afshin Fassihi et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Support vector machines combined with feature selection for breast cancer diagnosis

(2008) Mehmet Fatih Akay   EXPERT SYSTEMS WITH APPLICATIONS