QSAR & Combinatorial Science

Venue (Journal)

Also Known As

Quantitative structure-activity relationships and combinatorial science (Print), QCS (Weinheim. Internet), Quantitative structure-activity relationships and combinatorial science (Internet), QCS (Weinheim. Print)

1.2K

Publications

21.6K

Citations

527

Concepts

About

QSAR & Combinatorial Science is a journal.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	56	266	15.7K
2	Medicine	47	237	10.1K
3	Management	11	11	585
4	Business	2	2	31
5	Health Sciences	1	1	29

QSAR & Combinatorial Science

1.2K

Publications

21.6K

Citations

Showing yearly statistics from 2000-2026.

Page 1

	Year	Citations
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models Alexander Tropsha, Paola Gramatica, Vijay K. Gombar QSAR & Combinatorial Science EngineeringMachine LearningBehavioral Decision MakingQspr ModelsMolecular Design	2003	2.1K
Principles of QSAR models validation: internal and external Paola Gramatica QSAR & Combinatorial Science Preclinical TherapeuticsEngineeringVerification And ValidationSystems PharmacologyBiostatistics	2007	2.1K
On Some Aspects of Variable Selection for Partial Least Squares Regression Models Partha Pratim Roy, Kunal Roy QSAR & Combinatorial Science Mathematical ProgrammingSearch OptimizationEngineeringPls ModelData Science	2007	793
Bioorthogonal Click Chemistry: Covalent Labeling in Living Systems Jeremy M. Baskin, Carolyn R. Bertozzi QSAR & Combinatorial Science Molecular PharmacologyMolecular RecognitionBiomolecular EngineeringEngineeringBiochemistry	2007	324
Benchmarking the Reliability of QikProp. Correlation between Experimental and Predicted Values Leukothea Ioakimidis, Loizos Thoukydidis, Amin Mirza, QSAR & Combinatorial Science EngineeringChemical AnalysisMeasurementSoftware Package QikpropChemistry	2007	277
On Selection of Training and Test Sets for the Development of Predictive QSAR models J. Thomas Leonard, Kunal Roy QSAR & Combinatorial Science EngineeringMachine LearningTarget IdentificationSystems PharmacologyBiostatistics	2005	252
A Generic QSAR for Assessing the Bioaccumulation Potential of Organic Chemicals in Aquatic Food Webs Jon A. Arnot, Frank A. P. C. Gobas QSAR & Combinatorial Science BioconcentrationEngineeringBioaccumulationBiomagnificationChemical Contaminant	2003	224
Are the Chemical Structures in Your QSAR Correct? Douglas Young, Todd M. Martin, Raghuraman Venkatapathy, QSAR & Combinatorial Science EngineeringChemical AnalysisDatabasesMolecular BiologyChemistry	2008	195
Prediction of the Solubility, Activity Coefficient and Liquid/Liquid Partition Coefficient of Organic Compounds S. H. Hilal, Samuel W. Karickhoff, L. A. Carreira QSAR & Combinatorial Science Solvent ExtractionEngineeringOrganic ChemistryComputational ChemistryChemistry	2004	179
Structural Requirements of Angiotensin I‐Converting Enzyme Inhibitory Peptides: Quantitative Structure‐Activity Relationship Modeling of Peptides Containing 4‐10 Amino Acid Residues Rotimi E. Aluko, Shuryo Nakai QSAR & Combinatorial Science Molecular PharmacologyBiochemistryStructural RequirementsMedicineNatural Sciences	2006	173

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