Pages that link to "Q57819212"

The following pages link to QSARINS: A new software for the development, analysis, and validation of QSAR MLR models (Q57819212):

Displaying 48 items.

• ILPC: simple chemometric tool supporting the design of ionic liquids (Q27902249) (← links)
• Visual analytics in cheminformatics: user-supervised descriptor selection for QSAR methods (Q27902306) (← links)
• Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids (Q31160037) (← links)
• Structure-based design of novel combinatorially generated NBTIs as potential DNA gyrase inhibitors against various Staphylococcus aureus mutant strains. (Q36394817) (← links)
• Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives (Q37215098) (← links)
• Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists (Q37672962) (← links)
• Impact of geometry optimization methods on QSAR modelling: A case study for predicting human serum albumin binding affinity. (Q38680601) (← links)
• An in silico approach to cytotoxicity of pharmaceuticals and personal care products on the rainbow trout liver cell line RTL-W1. (Q38737342) (← links)
• QSAR analysis for 6-arylpyrazine-2-carboxamides as Trypanosoma brucei inhibitors (Q38753579) (← links)
• Linear and non-linear modelling of the cytotoxicity of TiO2 and ZnO nanoparticles by empirical descriptors. (Q38838799) (← links)
• Investigation of the influence of protein corona composition on gold nanoparticle bioactivity using machine learning approaches (Q38850045) (← links)
• A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds. (Q38943435) (← links)
• In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study (Q38974511) (← links)
• QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. (Q39237832) (← links)
• Ecotoxicity interspecies QAAR models from Daphnia toxicity of pharmaceuticals and personal care products (Q39255331) (← links)
• The advancement of multidimensional QSAR for novel drug discovery - where are we headed? (Q39340690) (← links)
• An in silico algal toxicity model with a wide applicability potential for industrial chemicals and pharmaceuticals (Q39401470) (← links)
• Computational strategies to explore antimalarial thiazine alkaloid lead compounds based on an Australian marine sponge Plakortis Lita (Q39520117) (← links)
• Geometry optimization method versus predictive ability in QSPR modeling for ionic liquids (Q40036944) (← links)
• QSAR models for antioxidant activity of new coumarin derivatives (Q40427676) (← links)
• Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters. (Q40469636) (← links)
• A Simple, Robust and Efficient Computational Method for n-Octanol/Water Partition Coefficients of Substituted Aromatic Drugs (Q41051173) (← links)
• QSAR models for predicting the toxicity of piperidine derivatives against Aedes aegypti (Q43039571) (← links)
• ChemSAR: an online pipelining platform for molecular SAR modeling. (Q43089449) (← links)
• Chemometrics approach for the prediction of structure-activity relationship for membrane transporter bilitranslocase (Q46502793) (← links)
• Identification of potential antimicrobials against Salmonella typhimurium and Listeria monocytogenes using Quantitative Structure-Activity Relation modeling (Q47134841) (← links)
• QSAR modeling of cumulative environmental end-points for the prioritization of hazardous chemicals. (Q47580799) (← links)
• Predictive QSAR Models for the Toxicity of Disinfection Byproducts. (Q47588412) (← links)
• Combined molecular docking and QSAR study of fused heterocyclic herbicide inhibitors of D1 protein in photosystem II of plants. (Q47927557) (← links)
• A quantitative property-property relationship for the internal diffusion coefficients of organic compounds in solid materials. (Q48370618) (← links)
• Deep Eutectic Solvents as Convenient Media for Synthesis of Novel Coumarinyl Schiff Bases and Their QSAR Studies (Q50190306) (← links)
• Acute to chronic estimation of Daphnia magna toxicity within the QSAAR framework. (Q50565507) (← links)
• Towards the Application of Structure-Property Relationship Modeling in Materials Science: Predicting the Seebeck Coefficient for Ionic Liquid/Redox Couple Systems (Q50703863) (← links)
• Ligand Efficiency Outperforms pIC50 on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists (Q50879103) (← links)
• An Efficient Synthesis of bi-Aryl Pyrimidine Heterocycles: Potential New Drug Candidates to Treat Alzheimer's Disease. (Q50881585) (← links)
• In silico study combining docking and QSAR methods on a series of matrix metalloproteinase 13 inhibitors (Q51017366) (← links)
• Analysis of B-Raf[Formula: see text] inhibitors using 2D and 3D-QSAR, molecular docking and pharmacophore studies. (Q55049847) (← links)
• Combined experimental and computational approach to developing efficient photocatalysts based on Au/Pd–TiO2 nanoparticles (Q57008846) (← links)
• Aquatic ecotoxicity of personal care products: QSAR models and ranking for prioritization and safer alternatives’ design (Q57819090) (← links)
• External Evaluation of QSAR Models, in Addition to Cross-Validation: Verification of Predictive Capability on Totally New Chemicals (Q57819139) (← links)
• Tautomerism and multiple modelling enhance the efficacy of QSAR: antimalarial activity of phosphoramidate and phosphorothioamidate analogues of amiprophos methyl (Q57819169) (← links)
• Synthesis, Anticancer, and QSAR Studies of 2-Alkyl(aryl,hetaryl)quinazolin-4(3H)-thione's and [1,2,4]Triazolo[1,5-c]quinazoline-2-thione's Thioderivatives (Q59429645) (← links)
• An integrated quantitative structure and mechanism of action-activity relationship model of human serum albumin binding. (Q64970532) (← links)
• Application of chemometric methods and QSAR models to support pesticide risk assessment starting from ecotoxicological datasets (Q89859100) (← links)
• A regression-based model to predict chemical migration from packaging to food (Q90884997) (← links)
• QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models (Q91985264) (← links)
• A quantitative structure-biodegradation relationship (QSBR) approach to predict biodegradation rates of aromatic chemicals (Q92891909) (← links)
• Predicting the Permeability of Macrocycles from Conformational Sampling - Limitations of Molecular Flexibility (Q101137933) (← links)