Search Result "Atom-based Derivative index"
Generalized Molecular Descriptors Derived From Event-Based Discrete Derivative
Journal: Current Pharmaceutical Design
Volume: 22 Issue: 33 Year: 2016 Page: 5095-5113
Author(s): Oscar MartÃnez-Santiago,Reisel Millán Cabrera,Yovani Marrero-Ponce,Stephen J. Barigye,Huong Le-Thi-Thu,F. Javier Torres,Cesar H. Zambrano,Ivan Yaber-Goenaga,Maykel Cruz-Monteagudo,Yoan MartÃnez López,Facundo Pérez Giménez,Francisco Torrens
Analysis of Proteasome Inhibition Prediction Using Atom-Based Quadratic Indices Enhanced by Machine Learning Classification Techniques
Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 6 Year: 2014 Page: 705-711
Author(s): Gerardo M. Casanola-Martin,Huong Le-Thi-Thu,Yovani Marrero-Ponce,Juan A Castillo- Garit,Francisco Torrens,Facundo Perez-Gimenez,Concepcion Abad
The Sum-Connectivity Index - An Additive Variant of the Randic Connectivity Index§
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 184-194
Author(s): Bono Lucic,Ivan Sovic,Jadranko Batista,Karolj Skala,Dejan Plavsic,Drazen Vikic-Topic,Drago Beslo,Sonja Nikolic,Nenad Trinajstic
The Second Omega Index
Journal: Current Organic Synthesis
Volume: 21 Issue: 3 Year: 2024 Page: 286-291
Author(s): Nurten Urlu Ozalan,Ahmet Sinan Cevik,Ismail Naci Cangul
Generation of Pharmacophore and Atom Based 3D-QSAR Model of Novel Isoquinolin-1-one and Quinazolin-4-one-type Inhibitors of TNFα
Journal: Medicinal Chemistry
Volume: 8 Issue: 3 Year: 2012 Page: 436-451
Author(s): Pradeep Hanumanthappa,Mahesh K. Teli,Rajanikant G. Krishnamurthy
Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors
Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 11 Year: 2019 Page: 944-956
Author(s): Oscar MartÃnez-Santiago,Yovani Marrero-Ponce,Ricardo Vivas-Reyes,Mauricio E.O. Ugarriza,ElÃzabeth Hurtado-RodrÃguez,Yoan MartÃnez-López,F. Javier Torres,Cesar H. Zambrano,Hai Pham-The
Use of Pharmacophore Modeling, 3D-atom-based QSAR, ADMET,Docking, and Molecular Dynamics Studies for the Development ofPsoralen-based Derivatives as Antifungal Agents
Journal: Anti-Infective Agents
Volume: 22 Issue: 3 Year: 2024 Page: 33-47
Author(s): Kalyani D. Asgaonkar,Shital M. Patil,Trupti S. Chitre,Krishna S. Shevate,Ashwini K. Sagar,Akshata P. Naik
A Review on Synthesis, Anticancer and Antiviral Potentials of Pyrimidine Derivatives
Journal: Current Bioactive Compounds
Volume: 15 Issue: 3 Year: 2019 Page: 289-303
Author(s): Sanjiv Kumar,Aakash Deep,Balasubramanian Narasimhan
A Computer-Based Approach to the Rational Discovery of New Trichomonacidal Drugs by Atom-Type Linear Indices
Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 4 Year: 2005 Page: 245-265
Author(s): Yovani Marrero-Ponce, Yanetsy Machado-Tugores, David M. Pereira, Jose A. Escario, Alicia G. Barrio, Juan J. Nogal-Ruiz, Carmen Ochoa, Vicente J. Aran, Antonio R. Martinez-Fernandez, Rory N. Garcia Sanchez, Alina Montero-Torres, Francisco Torrens, Alfredo Meneses-Marcel
QSAR Study on 5-Lipoxygenase Activating Protein (FLAP) Inhibitors: The Derivatives of 2,2-Bisaryl-Bicycloheptane
Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 1 Year: 2011 Page: 32-43
Author(s): Brij Kishore Sharma, Pradeep Pilania, Prithvi Singh