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Igor V Filippov

Explore the profile of Igor V Filippov including associated specialties, affiliations and a list of published articles. Areas
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Articles 15
Citations 178
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Recent Articles
1.
Weidlich I, Filippov I
J Comput Chem . 2016 Jun; 37(22):2091-7. PMID: 27353971
Modern databases of small organic molecules contain tens of millions of structures. The size of theoretically available chemistry is even larger. However, despite the large amount of chemical information, the...
2.
Weidlich I, Pevzner Y, Miller B, Filippov I, Woodcock H, Brooks B
J Comput Chem . 2014 Nov; 36(1):62-7. PMID: 25362883
Recent availability of large publicly accessible databases of chemical compounds and their biological activities (PubChem, ChEMBL) has inspired us to develop a web-based tool for structure activity relationship and quantitative...
3.
Weidlich I, Filippov I, Brown J, Kaushik-Basu N, Krishnan R, Nicklaus M, et al.
Bioorg Med Chem . 2013 Apr; 21(11):3127-37. PMID: 23608107
Hepatitis C virus (HCV) is a global health challenge, affecting approximately 200 million people worldwide. In this study we developed SAR models with advanced machine learning classifiers Random Forest and...
4.
Zakharov A, Peach M, Sitzmann M, Filippov I, McCartney H, Smith L, et al.
Future Med Chem . 2012 Oct; 4(15):1933-44. PMID: 23088274
Background: The most important factor affecting metabolic excretion of compounds from the body is their half-life time. This provides an indication of compound stability of, for example, drug molecules. We...
5.
Sitzmann M, Weidlich I, Filippov I, Liao C, Peach M, Ihlenfeldt W, et al.
J Chem Inf Model . 2012 Feb; 52(3):739-56. PMID: 22303903
We present here a greatly updated version of an earlier study on the conformational energies of protein-ligand complexes in the Protein Data Bank (PDB) [Nicklaus et al. Bioorg. Med. Chem....
6.
OBoyle N, Guha R, Willighagen E, Adams S, Alvarsson J, Bradley J, et al.
J Cheminform . 2011 Oct; 3(1):37. PMID: 21999342
Background: The Blue Obelisk movement was established in 2005 as a response to the lack of Open Data, Open Standards and Open Source (ODOSOS) in chemistry. It aims to make...
7.
Ryong Moon H, Siddiqui M, Sun G, Filippov I, Landsman N, Lee Y, et al.
Tetrahedron . 2010 Nov; 66(34):6707-6717. PMID: 21052524
Steric and electronic parameters such as the anomeric effect (AE) and gauche effect play significant roles in steering the North ⇆ South equilibrium of nucleosides in solution. Two isomeric oxa-bicyclo[3.1.0]hexane...
8.
Filippov I, Nicklaus M
J Chem Inf Model . 2009 May; 49(3):740-3. PMID: 19434905
Until recently most scientific and patent documents dealing with chemistry have described molecular structures either with systematic names or with graphical images of Kekulé structures. The latter method poses inherent...
9.
Marquez V, Sun G, Siddiqui M, Lee Y, Barchi Jr J, Filippov I, et al.
Nucleic Acids Symp Ser (Oxf) . 2008 Sep; (52):543-4. PMID: 18776494
The consequences of freezing the orientation of the oxygen's lone pair orbitals--which determines whether the anomeric effect is operative or not--were studied theoretically and experimentally in two oxobicyclo-[3.1.0]hexane nucleosides (1...
10.
Filippov I, Williams W, Krebs A, Pugachev K
Brain Res . 2008 Jun; 1219:66-77. PMID: 18534565
Several available reports demonstrate the presence of infraslow activity (<0.5 Hz) in structures of the auditory system of the brain. It was reported earlier that specific alterations of this activity...