Search Result "SMILES"


Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1768-1779
Author(s): Aleksandar M. Veselinovic,Jovana B. Veselinovic,Jelena V. Zivkovic,Goran M. Nikolic

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1837-1844
Author(s): Andrey A. Toropov,Robert Rallo,Alla P. Toropova

Bio-AIMS Collection of Chemoinformatics Web Tools based on Molecular Graph Information and Artificial Intelligence Models

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 8 Year: 2015 Page: 735-750
Author(s): Cristian R. Munteanu,Humberto Gonzalez-Diaz,Rafael Garcia,Mabel Loza,Alejandro Pazos

The Monte Carlo Method Based on Eclectic Data as an Efficient Tool for Predictions of Endpoints for Nanomaterials - Two Examples of Application

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 4 Year: 2015 Page: 376-386
Author(s): Andrey A. Toropov, Alla P. Toropova, Aleksandar M. Veselinovic, Jovana B. Veselinovic, Karel Nesmerak, Ivan Raska, Pablo R. Duchowicz, Eduardo A. Castro, Valentin O. Kudyshkin, Danuta Leszczynska, Jerzy Leszczynski

Protein Ligand Complex Guided Approach for Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 577-590
Author(s): Muthukumarasamy Karthikeyan,Deepak Pandit,Renu Vyas

Molecular Graph Theory: From Adjacency Information to Colored Topology by Chemical Reactivity

Journal: Current Organic Chemistry
Volume: 19 Issue: 4 Year: 2015 Page: 359-386
Author(s): Marina A. Tudoran,Mihai V. Putz

MegaMiner: A Tool for Lead Identification Through Text Mining Using Chemoinformatics Tools and Cloud Computing Environment

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 6 Year: 2015 Page: 591-603
Author(s): Muthukumarasamy Karthikeyan,Yogesh Pandit,Deepak Pandit,Renu Vyas

Role of Chemical Reactivity and Transition State Modeling for Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 7 Year: 2015 Page: 638-657
Author(s): Muthukumarasamy Karthikeyan,Renu Vyas,Sanjeev S. Tambe,Deepthi Radhamohan,Bhaskar D. Kulkarni

Molecular Docking and Enzymatic Analysis of Annonin-I, Against the Dusky Cotton Bug Oxycarenus laetus Kirby

Journal: Current Bioinformatics
Volume: 10 Issue: 1 Year: 2015 Page: 91-96
Author(s): S.K.M. Habeeb,K.P. Sanjayan

Chemoinformatics Approach for Building Molecular Networks from Marine Organisms

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 7 Year: 2015 Page: 673-684
Author(s): Muthukumarasamy Karthikeyan,Deepika Nimje,Rakhi Pahujani,Kushal Tyagi,Sanket Bapat,Renu Vyas,Krishna Pillai Padmakumar

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