相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Quantitative structure activity relationships (QSARs) and machine learning models for abiotic reduction of organic compounds by an aqueous Fe(II) complex
Yidan Gao et al.
WATER RESEARCH (2021)
In silico drug discovery of Acetylcholinesterase and Butyrylcholinesterase enzymes inhibitors based on Quantitative Structure-Activity Relationship (QSAR) and drug-likeness evaluation
Nour-El-Houda Hammoudi et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Multi-QSAR approaches for investigating the relationship between chemical structure descriptors of Thiadiazole derivatives and their corrosion inhibition performance
Karima Sadik et al.
JOURNAL OF MOLECULAR STRUCTURE (2021)
Quantitative structure-activity relationship (QSAR) models and their applicability domain analysis on HIV-1 protease inhibitors by machine learning methods
Yujia Tian et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2020)
Feature selection based on chaotic binary black hole algorithm for data classification
Omar Saber Qasim et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2020)
QSAR models for the fumigant activity prediction of essential oils
Pablo R. Duchowicz et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2020)
High-dimensional QSAR/QSPR classification modeling based on improving pigeon optimization algorithm
Zakariya Yahya Algamal et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2020)
QSAR classification model for diverse series of antifungal agents based on improved binary differential search algorithm
A. M. Al-Fakih et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2019)
A QSAR model for predicting antidiabetic activity of dipeptidyl peptidase-IV inhibitors by enhanced binary gravitational search algorithm
A. M. Al-Fakih et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2019)
A new hybrid firefly algorithm and particle swarm optimization for tuning parameter estimation in penalized support vector machine with application in chemometrics
Niam Abdulmunim Al-Thanoon et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2019)
Partial maximum correlation information: A new feature selection method for microarray data classification
Mingshun Yuan et al.
NEUROCOMPUTING (2019)
A multiobjective approach in constructing a predictive model for Fischer-Tropsch synthesis
Effat Dehghanian et al.
JOURNAL OF CHEMOMETRICS (2018)
An efficient semi-supervised representatives feature selection algorithm based on information theory
Yintong Wang et al.
PATTERN RECOGNITION (2017)
QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites
J. Correa-Basurto et al.
CHEMICO-BIOLOGICAL INTERACTIONS (2014)
A survey on feature selection methods
Girish Chandrashekar et al.
COMPUTERS & ELECTRICAL ENGINEERING (2014)
Effect of different drying techniques on flowability characteristics and chemical properties of natural carbohydrate-protein Gum from durian fruit seed
Hamed Mirhosseini et al.
CHEMISTRY CENTRAL JOURNAL (2013)
Method and model comparison by sum of ranking differences in cases of repeated observations (ties)
Klara Kollar-Hunek et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2013)
Gravitational search algorithm: A new feature selection method for QSAR study of anticancer potency of imidazo[4,5-b]pyridine derivatives
Behnam Mohseni Bababdani et al.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS (2013)
Towards better understanding of feature-selection or reduction techniques for Quantitative Structure-Activity Relationship models
Mohammad Goodarzi et al.
TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2013)
S-shaped versus V-shaped transfer functions for binary Particle Swarm Optimization
Seyedali Mirjalili et al.
SWARM AND EVOLUTIONARY COMPUTATION (2013)
Feature Selection Methods in QSAR Studies
Mohammad Goodarzi et al.
JOURNAL OF AOAC INTERNATIONAL (2012)
Chaotic catfish particle swarm optimization for solving global numerical optimization problems
Li-Yeh Chuang et al.
APPLIED MATHEMATICS AND COMPUTATION (2011)
Improved binary particle swarm optimization using catfish effect for feature selection
Li-Yeh Chuang et al.
EXPERT SYSTEMS WITH APPLICATIONS (2011)
Sum of ranking differences for method discrimination and its validation: comparison of ranks with random numbers
Karoly Heberger et al.
JOURNAL OF CHEMOMETRICS (2011)
BINANA: A novel algorithm for ligand-binding characterization
Jacob D. Durrant et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2011)
QSAR study on the interactions between antibiotic compounds and DNA by a hybrid genetic-based support vector machine
Xi Bin Zhou et al.
MONATSHEFTE FUR CHEMIE (2011)
Evaluation of model predictive ability by external validation techniques
Viviana Consonni et al.
JOURNAL OF CHEMOMETRICS (2010)
Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading
Oleg Trott et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2010)
QSAR modeling of peptide biological activity by coupling support vector machine with particle swarm optimization algorithm and genetic algorithm
Xuan Zhou et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2010)
Sum of ranking differences compares methods or models fairly
Karoly Heberger
TRAC-TRENDS IN ANALYTICAL CHEMISTRY (2010)
An efficient variable selection method based on the use of external memory in ant colony optimization. Application to QSAR/QSPR studies
Mojtaba Shamsipur et al.
ANALYTICA CHIMICA ACTA (2009)
On some aspects of variable selection for partial least squares regression models
Partha Pratim Roy et al.
QSAR & COMBINATORIAL SCIENCE (2008)
A novel QSAR model for prediction of apoptosis-inducing activity of 4-aryl-4-H-chromenes based on support vector machine
Mohammad Hossein Fatemi et al.
BIOORGANIC & MEDICINAL CHEMISTRY (2007)
Docking and quantum mechanic studies on cholinesterases and their inhibitors
Jose Correa-Basurto et al.
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY (2007)
Three-dimensional QSAR using the k-nearest neighbor method and its interpretation
S Ajmani et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2006)
CoMFA 3D-QSAR analysis of HIV-1 RT nonnucleoside inhibitors, TIBO derivatives based on docking conformation and alignment
ZG Zhou et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2004)
Comparison of MLR, PLS and GA-MLR in QSAR analysis
AK Saxena et al.
SAR AND QSAR IN ENVIRONMENTAL RESEARCH (2003)
Support vector machine models in drug design: applications to drug transport processes and QSAR using simplex optimisations and variable selection
U Norinder
NEUROCOMPUTING (2003)
Beware of q(2)!
A Golbraikh et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2002)
A novel method for building regression tree models for QSAR based on artificial ant colony systems
S Izrailev et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)
The Protein Data Bank
HM Berman et al.
NUCLEIC ACIDS RESEARCH (2000)
分享论文
