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- Leo A, Hansch C, Church C
Comparison of parameters currently used in the study of SARS
J. Med. Chem. 1969, 12, 766-771
- Balakin K, Savchuk N
Computational Methods for Analysis of High-Throughput Screening Data
Curr. Comput.-Aid. Drug Disc., January 2005, in press
- Balakin, KV; Tkachenko, SE; Lang, SA; Okun, I; Ivashchenko, AI; Savchuk, NP
Property-Based Design of GPCR-Targeted Library
J. Chem. Inf. Comput. Sci. 2002, 42, 1332-1342
- Balakin KV, Lang SA, Skorenko AV, Tkachenko SE, Ivashchenko AA, Savchuk NP
Structure-based versus property-based approaches in the design of GPCR targeted libraries
J. Chem. Inf. Comput. Sci. 2003, 43, 1553-1562
- Savchuk NP, Tkachenko SE, Balakin KV
Rational design of GPCR-specific combinatorial libraries based on the concept of privileged Substructures
In T Oprea, ed. Cheminformatics in Drug Discovery. Weinheim: Wiley VCH. 2004, in press
- Lang SA, Kozyukov AV, Balakin KV, Skorenko AV, Ivashchenko AA, Savchuk NP
Classification scheme for the design of serine protease targeted compound libraries
J. Comput. Aided Mol. Des. 2002, 16, 803-807
- Nikolsky Y, Balakin KV, Ivanenkov YA, Ivashchenko AA, Savchuk NP
Intelligent machine learning technologies in pre-synthetic combinatorial design
PharmaChem 2003, 4, 68-72
- Savchuk NP, Balakin KV
Data Mining Approaches for Enhancement of Knowledge-Based Content of De Novo Chemical Libraries. In H. Alvarez, B. Shoichet, eds.
Virtual Screening in Drug Discovery. New York: Marcel Dekker. 2004, in press
- Ivanenkov YA, Balakin KV, Savchuk NP, Ivashchenko AA, Skorenko AV, Nikolsky YV
Advanced Data Mining Tools for Compounds Libraries
European Biotechnology News. 2003, 2
- Raevsky OA, Trepalin SV, Trepalina HP, Gerasimenko VA, Raevskaya OE
SLIPPER-2001 – Software for Predicting Molecular Properties on the Basis of Physicochemical Descriptors and Structural Similarity
J. Chem. Inf. Comput. Sci. 2002, 42, 540-549
- Balakin KV; Savchuk NS
Advanced data mining technologies
Manufact. Chem. 01 Aug, 2004
- Nikolsky Y, Balakin KV, Ivanenkov YA, Ivashchenko AA, Savchuk NP
Intelligent machine learning technologies in pre-synthetic combinatorial design
PharmaChem 2003; 4: 68-72
- Savchuk NP
In silico ADME-Tox as part of an optimization strategy
Curr. Drug Disc. 2003, 4, 17-22
- Balakin KV, Konarkowski HAE., Skorenko AV, Stepanov VA, Ivashchenko AA, Savchuk NP
Blood-Brain Barrier Permeability Modeling Using Machine Learning Technologies
LaborWelt (LabWorld). 4, 24-25
- Balakin KV, Ekins S, Bugrim A, Ivanenkov YA, Korolev D, Nikolsky YV, Skorenko AV, Ivashchenko AA, Savchuk NP, Nikolskaya T
Kohonen maps for prediction of binding to human cytochrome P450 3A4
Drug Metab. Dispos. 2004, 32, 1183-1189
- Korolev D, Balakin KV, Nikolsky Y, Kirillov E, Ivanenkov YA, Savchuk NP, Ivashchenko AA, Nikolskaya T
Modeling of human cytochrome P450-mediated drug metabolism using unsupervised machine learning approach
J. Med. Chem. 2003, 46, 3631-3643
- Balakin KV, Ekins S, Bugrim A, Ivanenkov YA, Korolev D, Nikolsky YV, Ivashchenko AA, Savchuk, NP, Nikolskaya T
Quantitative structure-metabolism relationship modeling of metabolic N-dealkylation reaction rates
Drug Metab. Dispos. 2004, 32, 1111-1120
- Balakin KV
DMSO solubility and bioscreening
Current Drug Disc. 2003, 8, 27-30
- Savchuk NP.
Advanced chemoinformatics tools for determination of optimal storing conditions of drug-like compounds
Presented at the Drug Discovery Technology Congress, Compound Inventory Management Section, Boston, 2003
- Balakin KV, Ivanenkov YA, Skorenko AV, Nikolsky YV, Savchuk NP, Ivashchenko AA
In silico estimation of DMSO solubility of organic compounds for bioscreening
J. Biomol. Screen. 2004, 9, 22-31
- Balakin KV, Lang SA, Tkachenko SE, Ivashchenko AA, Savchuk NP
Pre-synthetic combinatorial design: Trends toward intelligent computational technologies
Chemistry Today. 2003, 21
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