III Международная летняя школа-конференция по хемоинформатике (Казань, 5-7 июля 2017 г.): Recent submissions

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IN SILICO IDENTIFICATION OF BIOISOSTERIC ANALOGS

Ertl P. (2017)
ARTIFICIAL INTELLIGENCE IN SYNTHETIC CHEMISTRY: ACHIEVEMENTS AND PERSPECTIVES

Baskin I.I.; Madzhidov T.I.; Antipin I.S.; Varnek A.A. (2017)
MACHINE LEARNING INTERATOMIC POTENTIAL FOR AL

Kruglov I.; Sergeev O.; Yanilkin A.; Oganov A. (2017)
CHEMOGRAPHY CONCEPT IN CHEMICAL SPACE ANALYSIS

Varnek A. (2017)
STRUCTURAL ALERTS FOR PROMISCUITY AND TOXICITY: THE GOOD, THE BAD, OR THE UGLY?

Tropsha A. (2017)
MOLECULE REPRESENTATION AND DATABASING OF MOLECULES AND REACTIONS

Madzhidov T.; Nugmanov R.; Varnek A. (2017)
DOCKING PROBLEMS: PROTEIN-LIGAND LOW ENERGY MINIMA ANALYSIS-

Sulimov V.; Kutov D.; Sulimov A. (2017)
THE MANY DIFFERENT ROLES OF MOLECULAR DYNAMICS IN DRUG DISCOVERY

Senderowitz H. (2017)
TRANSDUCTION LEARNING IN QSAR: AN EFFICIENT WAY TO BUILD THE MODELS ON SMALL DATA SETS

Marcou G.; Delouis G.; Horvath D.; Varnek A. (2017)
WAY2DRUG CHEMINFORMATICS PLATFORM FOR DRUG REPURPOSING

Poroikov V.; Druzhilovskiy D.; Rudik A.; Pogodin P.; Filimonov D.; Lagunin A.; Sastry N. (2017)
VIRTUAL SCREENING IN DRUG DISCOVERY

Polishchuk P. (2017)
GENERATIVE TOPOGRAPHIC MAPPING OF CONFORMATIONAL SPACE

Horvath D.; Baskin I.; Marcou G.; Varnek A. (2017)

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