Pretraga

Rezultati

Critical Assessment of Conformal Prediction Methods Applied in Binary Classification Settings [2021]

Krstajic, Damjan

Novel virtual screening protocol based on the combined use of molecular modeling and electron-ion interaction potential techniques to design HIV-1 integrase inhibitors [2007]

Tintori, Cristina; Manetti, Fabrizio; Veljković, Nevena V. ; Perović, Vladimir R. ; Vercammen, Jo; Hayes, Sean; Massa, Silvio; Witvrouw, Myriam; Debyser, Zeger; Veljković, Veljko ;

Botta, Maurizio;

Influence of alkali metal cations upon the Kolbe-Schmitt reaction mechanism [2006]

Marković, Zoran ; Marković, Svetlana ; Begović, Nebojša

Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models [2017]

Mladenović M. ; Patsilinakos A.; Pirolli A.; Sabatino M.; Ragno, Rino

Expanding the Accessible Chemical Space of SIRT2 Inhibitors through Exploration of Binding Pocket Dynamics [2022]

Đoković, Nemanja ; Ružić, Dušan ; Rahnasto-Rilla, Mina; Srdić-Rajić, Tatjana ; Lahtela-Kakkonen, Maija; Nikolić, Katarina

Essential Oils as Antimicrobials against Acinetobacter baumannii: Experimental and Literature Data to Definite Predictive Quantitative Composition-Activity Relationship Models Using Machine Learning Algorithms [2025]

Astolfi, Roberta; Oliva, Alessandra; Raffo, Antonio; Sapienza, Filippo; Ragno, Alessio; Proia, Eleonora; Mastroianni, Claudio M; Luceri, Cristina; Bozovic, Mijat; Mladenovic, Milan;

Papa, Rosanna; Bottoni, Patrizia; Mazzinelli, Elena; Nocca, Giuseppina; Ragno, Rino;

Critical Assessment of Conformal Prediction Methods Applied in Binary Classification Settings [2021]

Novel virtual screening protocol based on the combined use of molecular modeling and electron-ion interaction potential techniques to design HIV-1 integrase inhibitors [2007]

Influence of alkali metal cations upon the Kolbe-Schmitt reaction mechanism [2006]

Understanding the Molecular Determinant of Reversible Human Monoamine Oxidase B Inhibitors Containing 2H-Chromen-2-One Core: Structure-Based and Ligand-Based Derived Three-Dimensional Quantitative Structure-Activity Relationships Predictive Models [2017]

Expanding the Accessible Chemical Space of SIRT2 Inhibitors through Exploration of Binding Pocket Dynamics [2022]

Essential Oils as Antimicrobials against Acinetobacter baumannii: Experimental and Literature Data to Definite Predictive Quantitative Composition-Activity Relationship Models Using Machine Learning Algorithms [2025]

Mechanism of the Kolbe-Schmitt reaction - structure of the intermediate potassium phenoxide-CO2 complex [2007]

Molecular Dynamic Simulations of Ocular Tablet Dissolution [2013]

Improved scaffold hopping in ligand-based virtual screening using neural representation learning [2020]

Variable neighborhood search for extremal graphs. 10 - comparison of irregularity indices for chemical trees [2005]

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