Search Result "descriptors of chemicals behavior"
Building a Chemical Space Based on Fragment Descriptors
Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Igor I. Baskin,Alexandre Varnek
Doi: 10.2174/9781608057450113010005
Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors
Ebook: Recent Trends on QSAR in the Pharmaceutical Perceptions
Volume: 1 Year: 2012
Author(s): M. Natália D.S. Cordeiro,Fernanda Borges,Aliuska Morales Helguera
Doi: 10.2174/978160805379711201010119
Structural Similarity and Descriptor Spaces for Clustering and Development of QSAR Models§
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 254-271
Author(s): Irene Luque Ruiz,Gonzalo Cerruela Garcia,Miguel Angel Gomez-Nieto
Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 449-462
Author(s): Subhash C. Basak
Integrative Approaches for Predicting In Vivo Effects of Chemicals from their Structural Descriptors and the Results of Short-Term Biological Assays
Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1356-1364
Author(s): Yen Sia Low,Alexander Yeugenyevich Sedykh,Ivan Rusyn,Alexander Tropsha
Degree Descriptors and Graph Entropy Quantities of Zeolite ACO
Journal: Current Organic Synthesis
Volume: 21 Issue: 3 Year: 2024 Page: 263-273
Author(s):
Assessing Chemicals Using Partial Order Ranking Methodology
Ebook: Advances in Combinatorial Chemistry & High Throughput Screening
Volume: 1 Year: 2013
Author(s): Lars Carlsen
Doi: 10.2174/9781608057450113010004
Assessment of Chemicals Applying Partial Order Ranking Techniques
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 11 Issue: 1 Year: 2008 Page: 794-805
Author(s): Lars Carlsen
The Present Utility and Future Potential for Medicinal Chemistry of QSAR / QSPR with Whole Molecule Descriptors
Journal: Current Topics in Medicinal Chemistry
Volume: 2 Issue: 1 Year: 2002 Page: 1333-1356
Author(s): Alan R. Katritzky, Dan C. Fara, Ruslan O. Petrukhin, Douglas B. Tatham, Uko Maran, Andre Lomaka, Mati Karelson
QSAR Modeling of Carcinogenic Risk Using Discriminant Analysis and Topological Molecular Descriptors
Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 55-67
Author(s): Joseph F. Contrera, Philip MacLaughlin, Lowell H. Hall, Lemont B. Kier