Pages that link to "Q47245998"
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The following pages link to Molecular similarity searching using atom environments, information-based feature selection, and a naïve Bayesian classifier (Q47245998):
Displaying 50 items.
- Open Babel: An open chemical toolbox (Q21198766) (← links)
- Drug Design for CNS Diseases: Polypharmacological Profiling of Compounds Using Cheminformatic, 3D-QSAR and Virtual Screening Methodologies (Q26745421) (← links)
- Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules (Q27702464) (← links)
- A ranking method for the concurrent learning of compounds with various activity profiles (Q27902271) (← links)
- Target prediction utilising negative bioactivity data covering large chemical space (Q27902317) (← links)
- PubChem atom environments (Q27902361) (← links)
- Understanding and classifying metabolite space and metabolite-likeness (Q28478426) (← links)
- Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information (Q28530221) (← links)
- Cheminformatics Research at the Unilever Centre for Molecular Science Informatics Cambridge (Q28607245) (← links)
- Computational methods to support high-content screening: from compound selection and data analysis to postulating target hypotheses (Q30597541) (← links)
- Cheminformatics analysis and learning in a data pipelining environment (Q31065593) (← links)
- Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets (Q33223543) (← links)
- Surrogate docking: structure-based virtual screening at high throughput speed (Q33227352) (← links)
- Residue Preference Mapping of Ligand Fragments in the Protein Data Bank (Q33453502) (← links)
- An integrated one-step system to extract, analyze and annotate all relevant information from image-based cell screening of chemical libraries (Q33541873) (← links)
- Grid-based molecular footprint comparison method for docking and de novo design: application to HIVgp41 (Q33590499) (← links)
- Domain of EPI suite biotransformation models (Q33684808) (← links)
- Application of Support Vector Machine-Based Ranking Strategies to Search for Target-Selective Compounds (Q33691770) (← links)
- Predicting cytotoxicity from heterogeneous data sources with Bayesian learning. (Q33766983) (← links)
- Natural Product-Like Virtual Libraries: Recursive Atom-Based Enumeration (Q33841317) (← links)
- Diversity-Oriented Synthesis of a Library of Substituted Tetrahydropyrones Using Oxidative Carbon-Hydrogen Bond Activation and Click Chemistry (Q33888936) (← links)
- Historical variation of structural novelty in a natural product library. (Q34074536) (← links)
- How similar are those molecules after all? Use two descriptors and you will have three different answers (Q34347842) (← links)
- Virtual screening of CB(2) receptor agonists from bayesian network and high-throughput docking: structural insights into agonist-modulated GPCR features. (Q34502788) (← links)
- Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space (Q34707685) (← links)
- Virtual Screening with AutoDock: Theory and Practice (Q34867648) (← links)
- Pharmacophore-based similarity scoring for DOCK (Q35013407) (← links)
- DanQi Pill protects against heart failure through the arachidonic acid metabolism pathway by attenuating different cyclooxygenases and leukotrienes B4. (Q35098869) (← links)
- Biofragments: an approach towards predicting protein function using biologically related fragments and its application to Mycobacterium tuberculosis CYP126. (Q35134065) (← links)
- Drug target prediction based on the herbs components: the study on the multitargets pharmacological mechanism of qishenkeli acting on the coronary heart disease (Q35846066) (← links)
- TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models (Q36014246) (← links)
- Linear and Nonlinear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality (Q36091350) (← links)
- Predicting the Metabolic Sites by Flavin-Containing Monooxygenase on Drug Molecules Using SVM Classification on Computed Quantum Mechanics and Circular Fingerprints Molecular Descriptors (Q36245456) (← links)
- Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel (Q36379132) (← links)
- Evaluation of machine-learning methods for ligand-based virtual screening (Q36700190) (← links)
- Implementation of the Hungarian algorithm to account for ligand symmetry and similarity in structure-based design (Q37644156) (← links)
- Similarity Searching Using 2D Structural Fingerprints (Q37788600) (← links)
- Bayesian Methods in Virtual Screening and Chemical Biology (Q37788601) (← links)
- Fragment Descriptors in Structure–Property Modeling and Virtual Screening (Q37788604) (← links)
- Advances in 2D fingerprint similarity searching (Q38028554) (← links)
- Fingerprint design and engineering strategies: rationalizing and improving similarity search performance (Q38054132) (← links)
- Molecular fingerprint similarity search in virtual screening (Q38240827) (← links)
- Nano-Lazar: Read across Predictions for Nanoparticle Toxicities with Calculated and Measured Properties (Q38369992) (← links)
- LiCABEDS II. Modeling of ligand selectivity for G-protein-coupled cannabinoid receptors (Q38540618) (← links)
- Identification of dual kinase inhibitors of CK2 and GSK3β: combined qualitative and quantitative pharmacophore modeling approach (Q38783320) (← links)
- AutoQSAR: an automated machine learning tool for best-practice QSAR modeling (Q38819844) (← links)
- Site of Metabolism Prediction Based on ab initio Derived Atom Representations (Q38891334) (← links)
- Identification of the First Low-Molecular-Weight Inhibitors of Matriptase-2 (Q39671578) (← links)
- Euphorbiasteroid reverses P-glycoprotein-mediated multi-drug resistance in human sarcoma cell line MES-SA/Dx5. (Q39767050) (← links)
- Calculation of substructural analysis weights using a genetic algorithm (Q41536184) (← links)