Articolele autorului Tudor Oprea
Link la profilul stiintific al lui Tudor Oprea

Raport: „Lordul Datelor” (olandez) a falsificat zeci de studii

Quis custodiet ipsos custodes? Sistemul de referenti stiintifici a esuat, si a fost necesar un deceniu ca sa se descopere asta. Urmariti acest link pentru informatii suplimentare.

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Romania lor, Romania noastra de Ovidiu Nahoi

Foisorul de Foc: Romania lor, Romania noastra de Ovidiu Nahoi copyright (c) 2003 Evenimentul Zilei Luni, 29 Septembrie 2003 Afirmatia numarul unu: “Baronii, coruptia si Securitatea nu ii preocupa pe tineri”. Afirmatia numarul doi: “Consideram ca este esential sa recunoastem ce s-a petrecut in societatea noastra pentru ca altfel vom fi condamnati sa repetam aceleasi prostii de dinainte de 1989 si de dupa”. Iata doua tipuri de atitudine prezente

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Mircea Geoana s-a intilnit cu reprezentantii asociatiei Romanian Business Professionals

24 septembrie 2003 INTALNIREA SEFULUI DIPLOMATIEI ROMANE CU REPREZENTANTI AI ASOCIATIEI ROMANIAN BUSINESS PROFESSIONALS Ministrul afacerilor externe al Romaniei, Mircea Geoana, s-a intalnit, marti, 23 septembrie 2003, la sediul Misiunii Romaniei pe langa Organizatia Natiunilor Unite din New York, cu un grup de tineri romani din State Unite, reuniti in cadrul asociatiei Romanian Business Professionals. Au participat peste 20 de tineri romani care

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Lead structure searching: Are we looking at the appropriate property?
Diaspora romana onorata la Biblioteca Nationala a Romaniei

La Biblioteca Nationala a Romaniei se va crea o Sala dedicata creatiei literare si stiintifice a autorilor de limba romana care lucreaza si creaza in strainatate. Inaugurarea salii este prevazuta a avea loc la jumatatea lunii mai 2003. In ceea ce priveste autorii din S.U.A., ei pot transmite lucrarile lor (intre unul si trei volume) catre acest fond de carte prin intermediul Ambasada Romaniei in S.U.A. la adresa: Mugurel Stanescu Embassy of Romania

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MTD-PLS: A PLS-Based Variant of the MTD Method. 2. Mapping Ligand-Receptor Interactions. Enzymatic Acetic Acid Esters Hydrolysis

The PLS variant of the MTD method (T. I. Oprea et al., SAR QSAR Environ. Res. 2001, 12, 75-92) was applied to a series of 25 acetylcholinesterase hydrolysis substrates. Statistically significant MTD-PLS models (q2 between 0.7 and 0.8) are in agreement with previous MTD models, with the advantage that local contributions are understood beyond the occupancy/nonoccupancy interpretation in MTD. A "chem. intuitive" approach further forces MTD-PLS coeffs.

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Chemical space navigation in lead discovery

The number of new chemical entities has remained rather constant (averaging 37 per year) in the past decade, despite the multiple-fold increase in the number of compounds that are being made and tested. Chemical space requires novel methods that can handle the increasing number of potentially accessible molecules. Neighborhood behavior, as an approach to similarity, and chemical property space navigation are some of the recent advances that are discussed,

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Prediction of oral drug permeability

No high quality QSAR model was achievable for oral availability because this physiol. process is multifactorial and difficult to describe using linear models. A strategy was proposed to break down the complexity of oral availability into simpler, more fundamental processes. For the permeability process, a model based on 20 compds. and Caco-2 measurements is presented. The ghost erhytrocytes diffusion rate, as measured by NMR for 12 compds., that

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ChemGPS: A chemical space navigation tool

A global method was recently proposed for chem. information management based on chemog. and GPS, the Navstar Global positioning System, a 24-satellites network in Earth orbit that provides precise positioning everywhere on the planet. Novel compds. are positioned in the ChemGPS system by predicting the nine-dimensional PCA scores, based on the previously defined model. The resulting coordinate system is similar across large nos. of chems., as it

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Pharmacokinetically Based Mapping Device for Chemical Space Navigation

ChemGPS, the chem. global positioning system, is a tool that combines rules (equiv. to dimensions) and objects (chem. structures) to provide a consistent chem. space map (Oprea, T. I.; Gottfries, J. J. Comb. Chem. 2001, 3, 157-166.). Rules included, initially, general properties such as size, lipophilicity, and hydrogen bond capacity, while objects include "satellites", intentionally placed outside the druglike space, as well as "core" objects, mostly

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