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III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.)
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Browsing III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.) by Author

Browsing III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.) by Author "Казанский (Приволжский) федеральный университет"

Now showing items 1-20 of 72

3D MOLECULAR FRAGMENT DESCRIPTORS FOR STRUCTURE-PROPERTY MODELING

Solov'ev V.; Solovev A. (2017)
A COMPUTATIONAL STUDY OF METAL-ORGANIC FRAMEWORKS OXIDATIVE DEGRADATION FOR THE DESIGN OF TUNABLE SMART DRUG DELIVERY SYSTEMS

Khramenkova E.; Pidko E. (2017)
A NEW APPROACH TO PREDICT OPTIMAL SALINITIES FOR SURFACTANT FORMULATIONS

Martin X.; Oukhemanou F.; Creton B. (2017)
AN APPROACH OF REDUCING COMPOUNDS' SET BASED ON MOLECULAR SIGNATURES

Adilova F.T.; Ikramov A.A. (2017)
ANALYSIS OF SMALL MOLECULES BINDING WITH DENGUE VIRUS ENVELOPE PROTEIN TRIMER

Volkov M.B.; Orlov A.A.; Osolodkin D.I.; Palyulin V.A.; Zefirov N.S. (2017)
ARTIFICIAL INTELLIGENCE IN SYNTHETIC CHEMISTRY: ACHIEVEMENTS AND PERSPECTIVES

Baskin I.I.; Madzhidov T.I.; Antipin I.S.; Varnek A.A. (2017)
ARTIFICIAL NEURAL NETWORKS, SUPPORT VECTOR MACHINES AND DECISION TREES FOR ANTI HIV ACTIVITY PREDICTION OF ORGANIC COMPOUNDS

Hdoufane I.; Bjij I.; Cherqaoui D. (2017)
AUTOMATIC SYSTEM FOR PREDICTION OF OPTIMAL CONDITION FOR HYDROGENATION REACTIONS

Afonina V.; Lin A.; Madzhidov T.; Nugmanov R.; Antipin I.; Klimchuk O.; Varnek A. (2017)
CASE STUDY: AN INVESTIGATION OF THE KNN-QSAR APPROACH

Adilova F.T.; Davronov R.R.; Zhamilov U.U.; Murodov Sh.N. (2017)
CGR-DB. INTERACTIVE REACTION DATABASE AND CGR-BASED SEARCH ENGINE.

Nugmanov R.; Sattarov B.; Fatykhova A.; Kutlushina A.; Bekmuratova F.; Khayrullina Z.; Moiseeva E.; Gimatev R.; Madzhidov T.; Varnek A. (2017)
CHEMBL ANTIVIRAL DATA ANALYSIS

Nikitina A.A.; Orlov A.A.; Osolodkin D.I.; Palyulin V.A.; Zefirov N.S. (2017)
CHEMICAL SPACE ANALYSIS OF SN2 REACTIONS IN SOLUTION BASED ON THE CONDENSED REACTION GRAPH APPROACH

Gimadiev T.R.; Casciuc I.V.; Madzhidov T.I.; Nugmanov R.I.; Baskin I.I.; Antipin I.S.; Klimchuk O.; Varnek A.A. (2017)
CHEMOGRAPHY CONCEPT IN CHEMICAL SPACE ANALYSIS

Varnek A. (2017)
CHEMOINFORMATIC APPROACH TO DRUG REPOSITIONING USING REAXYS MEDICINAL CHEMISTRY AND PATHWAY STUDIO

Khudoshin A. (2017)
CHEMOMETRIC PROCESSING OF TXRF DATA IN THE ANALYSIS OF WATER SAMPLES

Maltsev A.; Shulyumova A. (2017)
COMPARISON OF THE QTAIM GROUP CHARGES IN CARBOXYLIC AND THIOCARBOXYLIC ACIDS

Rusakova N.; Chernova E.; Turovtsev V.; Kotomkin A.; Orlov Yu. (2017)
COMPUTER-AIDED PREDICTION OF MULTITARGET PROFILES: CASE STUDIES FOR CLOZAPINE AND DASATINIB

Murtazalieva K.; Poroikov V. (2017)
COMPUTER-AIDED SEARCH OF RIBOSE 5-PHOSPHATE AND ATP CONFORMATION IN THE ACTIVE SITE OF THE PHOSPHORYBOSYLPYROPHOSPHATE SYNTHETASE FROM THERMOPHILIC THERMUS THERMOPHILUS

Sidorov-Biryukov D.; Podshivalov D.; Mandzhieva J.; Timofeev V.; Esipov R.; Kuranova I. (2017)
CONSENSUS APPROACH IN QSAR

Vassiliev P. (2017)
DEVELOPMENT OF A PREDICTION' PERFORMANCE METRIC FOR CHEMICAL REACTIONS' MODELS

Akhmetshin T.N.; Nugmanov R.I.; Madzhidov T.I.; Varnek A. (2017)

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Browsing III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.) by Author "Казанский (Приволжский) федеральный университет"

Browsing III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.) by Author "Казанский (Приволжский) федеральный университет"

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