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A Binary Ant Colony Optimization Classifier for Molecular Activities

https://doi.org/10.1021/ci200186m

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/1097-0142(1950)3:1<32::aid-cncr2820030106>3.0.co;2-3openalex-snapshot

Index for rating diagnostic tests

inferredcites →https://doi.org/10.1002/9783527613106openalex-snapshot

Handbook of Molecular Descriptors

inferredcites →https://doi.org/10.1002/qsar.200610097openalex-snapshot

Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?

inferredcites →https://doi.org/10.1007/978-1-4757-3264-1openalex-snapshot

The Nature of Statistical Learning Theory

inferredcites →https://doi.org/10.1016/j.bmc.2006.02.008openalex-snapshot

In silico ADME modelling 2: Computational models to predict human serum albumin binding affinity using ant colony systems

inferredcites →https://doi.org/10.1016/j.drudis.2006.10.005openalex-snapshot

Similarity-based virtual screening using 2D fingerprints

inferredcites →https://doi.org/10.1021/ci00010a010openalex-snapshot

Clustering of chemical structures on the basis of two-dimensional similarity measures

inferredcites →https://doi.org/10.1021/ci000336sopenalex-snapshot

A Novel Method for Building Regression Tree Models for QSAR Based on Artificial Ant Colony Systems

inferredcites →https://doi.org/10.1021/ci010132ropenalex-snapshot

Reoptimization of MDL Keys for Use in Drug Discovery

inferredcites →https://doi.org/10.1021/ci025584yopenalex-snapshot

The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics

inferredcites →https://doi.org/10.1021/ci034160gopenalex-snapshot

Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling

inferredcites →https://doi.org/10.1021/ci049610zopenalex-snapshot

Modified Ant Colony Optimization Algorithm for Variable Selection in QSAR Modeling: QSAR Studies of Cyclooxygenase Inhibitors

inferredcites →https://doi.org/10.1021/ci100072zopenalex-snapshot

Pharmaceutical Perspectives of Nonlinear QSAR Strategies

inferredcites →https://doi.org/10.1021/ci100364aopenalex-snapshot

Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

inferredcites →https://doi.org/10.1021/ci800298zopenalex-snapshot

Empirical Scoring Functions for Advanced Protein−Ligand Docking with PLANTS

inferredcites →https://doi.org/10.1021/ci9000103openalex-snapshot

Feature Selection and Linear/Nonlinear Regression Methods for the Accurate Prediction of Glycogen Synthase Kinase-3β Inhibitory Activities

inferredcites →https://doi.org/10.1021/ci960151eopenalex-snapshot

Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors

inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot

Chemical Similarity Searching

inferredcites →https://doi.org/10.1021/ci9803381openalex-snapshot

Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

inferredcites →https://doi.org/10.1021/mp100279dopenalex-snapshot

Combinatorial QSAR Modeling of Human Intestinal Absorption

inferredcites →https://doi.org/10.1038/35017500openalex-snapshot

Inspiration for optimization from social insect behaviour

inferredcites →https://doi.org/10.1042/bj20060422openalex-snapshot

Substrate mapping and inhibitor profiling of falcipain-2, falcipain-3 and berghepain-2: implications for peptidase anti-malarial drug discovery

inferredcites →https://doi.org/10.1073/pnas.0802982105openalex-snapshot

In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen

inferredcites →https://doi.org/10.1145/1656274.1656278openalex-snapshot

The WEKA data mining software

inferredcites →https://doi.org/10.13182/nse70-a19705openalex-snapshot

The Art of Computer Programming

inferredcites →https://doi.org/10.5281/zenodo.19712698openalex-snapshot

A Study of Cross-Validation and Bootstrap for Accuracy Estimation and Model Selection

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1007/s10822-018-0171-5openalex-snapshot

Boosted feature selectors: a case study on prediction P-gp inhibitors and substrates

inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01578openalex-snapshot

Graph-Based Feature Selection Approach for Molecular Activity Prediction

inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00492openalex-snapshot

Advantages of Relative versus Absolute Data for the Development of Quantitative Structure–Activity Relationship Classification Models

inferred← citeshttps://doi.org/10.1021/ci400715nopenalex-snapshot

Optimization of Molecular Representativeness

inferred← citeshttps://doi.org/10.1080/1062936x.2017.1423376openalex-snapshot

Molecular activity prediction by means of supervised subspace projection based ensembles of classifiers

inferred← citeshttps://doi.org/10.1080/1062936x.2019.1588160openalex-snapshot

Filter feature selectors in the development of binary QSAR models

inferred← citeshttps://doi.org/10.1109/cec.2013.6557854openalex-snapshot

Hybrid feature selection and peptide binding affinity prediction using an EDA based algorithm

inferred← citeshttps://doi.org/10.3390/molecules170910429openalex-snapshot

Computational Prediction of Blood-Brain Barrier Permeability Using Decision Tree Induction

inferred← citeshttps://doi.org/10.4155/fmc.12.126openalex-snapshot

Fingerprint Design And Engineering Strategies: Rationalizing And Improving Similarity Search Performance

inferred← citeshttps://doi.org/10.5451/unibas-005676976openalex-snapshot

"In silico" prediction of drug transport across physiological barriers

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