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Molecular Diversity|June 14, 2006
Megavariate analysis of environmental QSAR data. Part I--a basic framework founded on principal component analysis (PCA), partial least squares (PLS), and statistical molecular design (SMD)Lennart Eriksson, Patrik L Andersson, Erik Johansson, et al.
Molecular Diversity|August 10, 2006
V-cluster algorithm: a new algorithm for clustering molecules based upon numeric dataJun Xu, Qiang Zhang, Chen-Kon Shih
Molecular Diversity|September 15, 2006
Molecular diversity and evolution of the Siglec family of cell-surface lectinsTakashi Angata
Molecular Diversity|September 28, 2006
Scoring of KDR kinase inhibitors: using interaction energy as a guide for rankingGeorgia B McGaughey, J Chris Culberson, Bradley P Feuston, et al.
Molecular Diversity|September 13, 2006
An easy access to 2-Amino-5,6-dihydro-3H-pyrimidin-4-one building blocks: the reaction under conventional and microwave conditionsKonstantin S Ostras, Nikolay Yu Gorobets, Sergey M Desenko, et al.
Molecular Diversity|April 19, 2007
Prediction of mutagenic toxicity by combination of Recursive Partitioning and Support Vector MachinesQuan Liao, Jianhua Yao, Shengang Yuan
Molecular Diversity|May 25, 2007
A note on the paper entitled "JEDA: joint entropy diversity analysis. An information-theoretic method for choosing diverse and representative subsets from combinatorial libraries" [Melissa R. Landon, Scott E. Schaus, Molecular Diversity (2006) 10 333-339]E Besalú
Molecular Diversity|January 8, 2023
A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteasesChatchakorn Eurtivong, Collin Zimmer, Tanja Schirmeister, et al.
Molecular Diversity|November 27, 2022
Design, synthesis and anticancer activity of 5-((2-(4-bromo/chloro benzoyl) benzofuran-5-yl) methyl)-2-((1-(substituted)-1H-1,2,3-triazol-4-yl)methoxy)benzaldehyde analoguesT Vishnu, M Veerabhadraiah, V Krishna Chaitanya, et al.
Molecular Diversity|November 28, 2022
3D-QSAR assisted identification of selective CYP1B1 inhibitors: an effective bioisosteric replacement/molecular docking/electrostatic complementarity analysisBaddipadige Raju, Bharti Sapra, Om Silakari
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