Search Result "SMILES"


Calculation of Molecular Features with Apparent Impact on Both Activity of Mutagens and Activity of Anticancer Agents

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 12 Issue: 7 Year: 2012 Page: 807-817
Author(s): Andrey A. Toropov,Alla P. Toropova,Emilio Benfenati,Giuseppina Gini,Danuta Leszczynska,Jerzy Leszczynski

CORAL: Binary Classifications (Active/Inactive) for Liver-Related Adverse Effects of Drugs

Journal: Current Drug Safety
Volume: 7 Issue: 4 Year: 2012 Page: 257-261
Author(s): Andrey A. Toropov,Alla P. Toropova,Bakhtiyor F. Rasulev,Emilio Benfenati,Giuseppina Gini,Danuta Leszczynska,Jerzy Leszczynski

CORAL: Classification Model for Predictions of Anti-Sarcoma Activity

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 2 Year: 2012 Page: 2741-2744
Author(s): A.A. Toropov, A.P. Toropova, E. Benfenati, G. Gini, D. Leszczynska, J. Leszczynski

Freely Accessible Databases of Commercial Compounds For High- Throughput Virtual Screenings

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 8 Year: 2012 Page: 866-877
Author(s): Armenio Jorge Moura Barbosa,Alberto Del Rio

In Silico Discovery and Virtual Screening of Multi-Target Inhibitors for Proteins in Mycobacterium tuberculosis

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 8 Year: 2012 Page: 666-673
Author(s): Alejandro Speck-Planche,Valeria V. Kleandrova,Feng Luan,M. Natalia D.S. Cordeiro

General Anesthetics in Pediatric Anesthesia: Influences on the Developing Brain

Journal: Current Drug Targets
Volume: 13 Issue: 7 Year: 2012 Page: 944-951
Author(s): Mary Ellen McCann,Sulpicio G. Soriano

QSAR Study for Carcinogenicity in a Large Set of Organic Compounds

Journal: Current Drug Safety
Volume: 7 Issue: 4 Year: 2012 Page: 282-288
Author(s): Pablo R. Duchowicz,Nieves C. Comelli,Erlinda V. Ortiz,Eduardo A. Castro

Structures and Stabilities: Quantum-Chemical Study of Aun (n = 2-2016) Nanoclusters by Extended Huckel and DFT Approaches

Journal: Nanoscience & Nanotechnology-Asia
Volume: 2 Issue: 1 Year: 2012 Page: 2-10
Author(s): Bakhtiyor Rasulev,Marquita Watkins,Melissa Theodore,Joany Jackman,Jerzy Leszczynski

Open Source Drug Discovery with Bioclipse

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 1980-1986
Author(s): Ola Spjuth,Lars Carlsson,Jonathan Alvarsson,Valentin Georgiev,Egon Willighagen,Martin Eklund

Evaluation of Small Molecule Tuberculostats for Targeting Tuberculosis Infections of the Central Nervous System

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 12 Issue: 1 Year: 2012 Page: 2-6
Author(s): Ronald Bartzatt

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