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Results 1 to 25 of 59

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Softening the Rule of Five—where to draw the line? : Chemoinformatics in Drug DiscoveryPETIT, Joachim; MEURICE, Nathalie; KAISER, Christine et al.Bioorganic & medicinal chemistry. 2012, Vol 20, Num 18, pp 5343-5351, issn 0968-0896, 9 p.Article

A comparison of the chemical properties of drugs and FEMA/FDA notified GRAS chemical compounds used in the food industrySPROUS, D. G; SALEMME, F. R.Food and chemical toxicology. 2007, Vol 45, Num 8, pp 1419-1427, issn 0278-6915, 9 p.Article

Lipophilicity and antiproliferative activity profiling of 2-benzylidencycloalkanonesHALLGAS, Balazs; DOBOS, Zsofia; AGOCS, Attila et al.Journal of chromatography. B. 2007, Vol 856, Num 1-2, pp 148-155, issn 1570-0232, 8 p.Article

Advances in algal drug research with emphasis on enzyme inhibitorsRENGASAMY, Kannan R. R; KULKARNI, Manoj G; STIRK, Wendy A et al.Biotechnology advances. 2014, Vol 32, Num 8, pp 1364-1381, issn 0734-9750, 18 p.Article

Lipophilicity of novel antitumour and analgesic active 8-aryl-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,4]triazine-3,4-dione derivatives determined by reversed-phase HPLC and computational methodsSZTANKE, Krzysztof; MARKOWSKI, Wojciech; SWIEBODA, Ryszard et al.European journal of medicinal chemistry. 2010, Vol 45, Num 6, pp 2644-2649, issn 0223-5234, 6 p.Article

Physicochemical profile of macrolides and their comparison with small moleculesSTEPANIC, Višnja; ZIHER, Dinko; GABELICA-MARKOVIC, Vesna et al.European journal of medicinal chemistry. 2012, Vol 47, pp 462-472, issn 0223-5234, 11 p.Article

Molecular properties prediction, synthesis and antimicrobial activity of some newer oxadiazole derivativesMOHAMMED AFROZ BAKHT; SHAHAR YAR, M; SAMI GABER ABDEL-HAMID et al.European journal of medicinal chemistry. 2010, Vol 45, Num 12, pp 5862-5869, issn 0223-5234, 8 p.Article

Novel imidazo[2,1-b][1,3,4]thiadiazole carrying rhodanine-3-acetic acid as potential antitubercular agentsALEGAON, Shankar G; ALAGAWADI, Kallanagouda R; SONKUSARE, Pranali V et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 5, pp 1917-1921, issn 0960-894X, 5 p.Article

Assessing the drug-likeness of lamellarins, a marine-derived natural product class with diverse oncological activitiesCHITTCHANG, Montakarn; GLEESON, M. Paul; PLOYPRADITH, Poonsakdi et al.European journal of medicinal chemistry. 2010, Vol 45, Num 6, pp 2165-2172, issn 0223-5234, 8 p.Article

Identification of novel telomeric G-quadruplex-targeting chemical scaffolds through screening of three NCI librariesRAHMAN, Khondaker M; TIZKOVA, Karolina; RESZKA, Anthony P et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 8, pp 3006-3010, issn 0960-894X, 5 p.Article

Design, synthesis and biological evaluation of novel quinazoline derivatives as potential antitumor agents: Molecular docking studyEL-AZAB, Adel S; AL-OMAR, Mohamed A; ABDEL-AZIZ, Alaa A.-M et al.European journal of medicinal chemistry. 2010, Vol 45, Num 9, pp 4188-4198, issn 0223-5234, 11 p.Article

Synthesis and antioxidant activity of long chain alkyl hydroxycinnamatesMENEZES, Jose C. J. M. D. S; KAMAT, Shrivallabh P; CAVALEIRO, Jose A. S et al.European journal of medicinal chemistry. 2011, Vol 46, Num 2, pp 773-777, issn 0223-5234, 5 p.Article

Solubility of drug-like molecules in pure organic solvents with the CPA EoSMOTA, Fátima L; QUEIMADA, Antonio J; PINHO, Simão P et al.Fluid phase equilibria. 2011, Vol 303, Num 1, pp 62-70, issn 0378-3812, 9 p.Article

Synthesis of ortho-substituted nitroaromatics via improved Negishi coupling conditionsTUTTLE, Jamison B; AZZARELLI, Joseph M; VERHOEST, Patrick R et al.Tetrahedron letters. 2011, Vol 52, Num 41, issn 0040-4039, 5197, 5211-5213 [4 p.]Article

QSAR, Docking and ADMET Studies of Artemisinin Derivatives for Antimalarial Activity Targeting Plasmepsin II, a Hemoglobin-Degrading Enzyme from P. falciparumQIDWAI, Tabish; YADAV, Dharmendra K; KHAN, Feroz et al.Current pharmaceutical design (Print). 2012, Vol 18, Num 37, pp 6133-6154, issn 1381-6128, 22 p.Article

In Silico Prediction of Drug PropertiesHUTTER, M. C.Current medicinal chemistry. 2009, Vol 16, Num 2, pp 189-202, issn 0929-8673, 14 p.Article

Biomolecular Chemistry of Isopropyl FibratesBALENDIRAN, Ganesaratnam K; RATH, Niharika; KOTHEIMER, Amanda et al.Journal of pharmaceutical sciences. 2012, Vol 101, Num 4, pp 1555-1569, issn 0022-3549, 15 p.Article

Are attention lapses related to d-amphetamine liking?MCCLOSKEY, Michael; PALMER, Abraham A; DE WIT, Harriet et al.Psychopharmacologia. 2010, Vol 208, Num 2, pp 201-209, issn 0033-3158, 9 p.Article

The physicochemical properties of a new class of anticancer fungal polysaccharides: A comparative studyLU REN; REYNISSON, Jóhannes; PERERA, Conrad et al.Carbohydrate polymers. 2013, Vol 97, Num 1, pp 177-187, issn 0144-8617, 11 p.Article

Theoretical investigation of passive intestinal membrane permeability using Monte Carlo method to generate drug-like molecule populationSUGANO, Kiyohiko.International journal of pharmaceutics (Print). 2009, Vol 373, Num 1-2, pp 55-61, issn 0378-5173, 7 p.Article

One year long-term study on abuse liability of nalfurafine in hemodialysis patientsUENO, Yuji; MORI, Akio; YANAGITA, Tomoji et al.International journal of clinical pharmacology and therapeutics. 2013, Vol 51, Num 11, pp 823-831, issn 0946-1965, 9 p.Article

Structure based medicinal chemistry approach to develop 4-methyl-7-deazaadenine carbocyclic nucleosides as anti-HCV agentTHIYAGARAJAN, Anandarajan; SALIM, Mohammed T. A; BALARAJU, Tuniki et al.Bioorganic & medicinal chemistry letters (Print). 2012, Vol 22, Num 24, pp 7742-7747, issn 0960-894X, 6 p.Article

Water solubility of drug-like molecules with the cubic-plus-association equation of stateMOTA, Fátima L; QUEIMADA, António J; PINHO, Simão P et al.Fluid phase equilibria. 2010, Vol 298, Num 1, pp 75-82, issn 0378-3812, 8 p.Article

Rational drug designMANDAL, Soma; MOUDGIL, Mee'nal; MANDAL, Sanat K et al.European journal of pharmacology. 2009, Vol 625, Num 1-3, pp 90-100, issn 0014-2999, 11 p.Article

Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logd, of AstraZeneca in-house databaseTETKO, Igor V; BRUNEAU, Pierre.Journal of pharmaceutical sciences. 2004, Vol 93, Num 12, pp 3103-3110, issn 0022-3549, 8 p.Article

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