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Иш: QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants

Optimal characterization of structure for prediction of properties
Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith
Мақола19909 иқтибос
ABI
Resolution of ambiguities in structure-property studies by use of orthogonal descriptors
Milan Randić
Мақола19918 иқтибос
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Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants
Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov
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QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs
Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov
Мақола20008 иқтибос
ABI
Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants
Germán Krenkel
Мақола20017 иқтибос
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Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants
Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov
Мақола20017 иқтибос
ABI
Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants
Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov
Мақола19996 иқтибос
ABI
Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants
Andrey A. Toropov, Pablo R. Duchowicz, Eduardo A. Castro
Мақола20036 иқтибос
ABI
Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
Arup K. Ghose, Gordon M. Crippen
Мақола19875 иқтибос
ABI
Chemometric methods in molecular design
H. Van De Waterbeemd
Китоб19955 иқтибос
ABI
Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships
Milan Randić
Мақола19915 иқтибос
ABI
On computation of optimal parameters for multivariate analysis of structure‐property relationship
Milan Randić
Мақола19915 иқтибос
ABI
Optimal Molecular Descriptors Based on Weighted Path Numbers
Milan Randić, Subhash C. Basak
Мақола19994 иқтибос
ABI
Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods
Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski
Мақола19983 иқтибос
ABI
Molecular Connectivity in Chemistry and Drug Research
Китоб19763 иқтибос
ABI
Linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids
Corwin Hansch, John E. Quinlan, Gary L. Lawrence
Мақола19682 иқтибос
ABI
A computer automated structure evaluation (CASE) approach to calculation of partition coefficient
Gilles Klopman, Shaomeng Wang
Мақола19912 иқтибос
ABI
Atom Description in QSAR Models: Development and Use of an Atom Level Index
Lemont B. Kier, Lowell H. Hall
Боб19922 иқтибос
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