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Rationalization of physicochemical characters of 1,5-diarylpyrazole analogs as dual (cox-2/LOX-5) COXibitors : A QSAR approachREVATHI, S; ARUN KUMAR GUPTA; LOVE KUMAR SONI et al.Journal of pharmaceutical and biomedical analysis. 2006, Vol 42, Num 2, pp 283-289, issn 0731-7085, 7 p.Article

Synthesis and anthelmintic activity of osthol analogs against Dactylogyrus intermedius in goldfishLIU, Guang-Lu; BING HAO; LIU, Shao-Peng et al.European journal of medicinal chemistry. 2012, Vol 54, pp 582-590, issn 0223-5234, 9 p.Article

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Substituent electronic descriptors for fast QSAR/ASPRHEMMATEENEJAD, Bahram; SANCHOOLI, Mahmood.Journal of chemometrics. 2007, Vol 21, Num 3-4, pp 96-107, issn 0886-9383, 12 p.Article

A dedicated generalized Procrustes algorithm for consensus molecular alignmentCOMMANDEUR, Jacques J. F; KROONENBERG, Pieter M; DUNN, William J et al.Journal of chemometrics. 2004, Vol 18, Num 1, pp 37-42, issn 0886-9383, 6 p.Conference Paper

Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9NICOLOTTI, Orazio; CATTO, Marco; CAROTTI, Angelo et al.European journal of medicinal chemistry. 2012, Vol 58, pp 368-376, issn 0223-5234, 9 p.Article

Structure-activity relationship study of human liver microsomes-catalyzed hydrolysis rate of ester prodrugs of MENT by comparative molecular field analysis (CoMFA)BURSI, Roberta; GROOTENHUIS, Arijan; VAN DER LOUW, Jaap et al.Steroids. 2003, Vol 68, Num 3, pp 213-220, issn 0039-128X, 8 p.Article

Receptor Dependent Multidimensional QSAR for Modeling Drug Receptor InteractionsPOLANSKI, Jaroslaw.Current medicinal chemistry. 2009, Vol 16, Num 25, pp 3243-3257, issn 0929-8673, 15 p.Article

Publicly available models to predict normal boiling point of organic compoundsOPRISIU, Ioana; MARCOU, Gilles; HORVATH, Dragos et al.Thermochimica acta. 2013, Vol 553, pp 60-67, issn 0040-6031, 8 p.Article

Predictive QSAR Modeling Workflow, Model Applicability Domains, and Virtual ScreeningTROPSHA, Alexander; GOLBRAIKH, Alexander.Current pharmaceutical design. 2007, Vol 13, Num 34, pp 3494-3504, issn 1381-6128, 11 p.Article

Detailed structure—activity relationship of indolecarboxamides as H₄ receptor ligandsENGELHARDT, Harald; DE ESCH, Iwan J. P; HAAKSMA, Eric E. J et al.European journal of medicinal chemistry. 2012, Vol 54, pp 660-668, issn 0223-5234, 9 p.Article

Isoxazolo(aza)naphthoquinones: A new class of cytotoxic Hsp90 inhibitorsBARGIOTTI, Alberto; MUSSO, Loana; CASTORINA, Massimo et al.European journal of medicinal chemistry. 2012, Vol 53, pp 64-75, issn 0223-5234, 12 p.Article

Ligand-based design, in silico ADME-Tox filtering, synthesis and biological evaluation to discover new soluble 1,4-DHP-based CFTR activatorsVISENTIN, Sonja; ERMONDI, Giuseppe; MEDANA, Claudio et al.European journal of medicinal chemistry. 2012, Vol 55, pp 188-194, issn 0223-5234, 7 p.Article

QSPR modeling of the enthalpy of formation based on Partial Order RankingCASTRO, Eduardo A; FERNANDEZ, Francisco M; DUCHOWICZ, Pablo R et al.Journal of mathematical chemistry. 2005, Vol 37, Num 4, pp 433-441, issn 0259-9791, 9 p.Article

Evaluation of boosted regression trees (BRTs) and two-step BRT procedures to model and predict blood-brain barrier passageDECONINCK, Eric; ZHANG, Menghui H; COOMANS, Danny et al.Journal of chemometrics. 2007, Vol 21, Num 7-9, pp 280-291, issn 0886-9383, 12 p.Article

Machine Learning Techniques and Drug DesignGERTRUDES, J. C; MALTAROLLO, V. G; SILVA, R. A et al.Current medicinal chemistry. 2012, Vol 19, Num 25, pp 4289-4297, issn 0929-8673, 9 p.Article

On further application of r²_m as a metric for validation of QSAR modelsMITRA, Indrani; PARTHA PRATIM ROY; KAR, Supratik et al.Journal of chemometrics. 2010, Vol 24, Num 1-2, pp 22-33, issn 0886-9383, 12 p.Article

Correlation weighted successive projections algorithm as a novel method for variable selection in QSAR studies : investigation of anti-HIV activity of HEPT derivativesKOMPANY-ZAREH, Mohsen; AKHLAGHI, Yousef.Journal of chemometrics. 2007, Vol 21, Num 5-6, pp 239-250, issn 0886-9383, 12 p.Article

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Development of PK- and PBPK-based modeling tools for derivation of biomonitoring guidance valuesBARTELS, M; RICK, D; LOWE, E et al.Computer methods and programs in biomedicine (Print). 2012, Vol 108, Num 2, pp 773-788, issn 0169-2607, 16 p.Article

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Combined Strategy for Phytotoxicity Enhancement of BenzoxazinonesMACIAS, Francisco A; CHINCHILLA, Nuria; ARROYO, Elena et al.Journal of agricultural and food chemistry (Print). 2010, Vol 58, Num 3, pp 2047-2053, issn 0021-8561, 7 p.Article

Modelling the interaction of small organic molecules with biomacromolecules. IV, The in vivo interaction of substituted purines with murine tumor adenocarcinoma CA 755MEKENYAN, O; BONCHEV, D; ROUVRAY, D. H et al.European journal of medicinal chemistry. 1991, Vol 26, Num 3, pp 305-312, issn 0223-5234Article

Biochemical and pharmacological evaluation of 4-hydroxychromen-2-ones bearing polar C-3 substituents as anticoagulantsMLADENOVIC, Milan; MIHAILOVIC, Mirjana; SOLUJIC, Slavica et al.European journal of medicinal chemistry. 2012, Vol 54, pp 144-158, issn 0223-5234, 15 p.Article