The DOI matches its Crossref record.
Handbook of Molecular Descriptors
Abstract
Users guide notations acronyms list of molecular descriptors. Appendices: counting and topological descriptors calculation of descriptors tables of molecular descriptor values.
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Extended-Connectivity Fingerprints
Rogers, D. O. W., & Hahn, M. (2010) · Journal of Chemical Information and Modeling · doi:10.1021/ci100050t · Cited by 7,925
PaDEL‐descriptor: An open source software to calculate molecular descriptors and fingerprints
Yap, C. W. (2010) · Journal of Computational Chemistry · doi:10.1002/jcc.21707 · Cited by 2,979
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Rupp, M., Tkatchenko, A., Müller, K.-R., & von Lilienfeld, O. A. (2012) · Physical Review Letters · doi:10.1103/physrevlett.108.058301 · Cited by 2,312
Designing antimicrobial peptides: form follows function
Fjell, C. D., Hiss, J. A., Hancock, R. E. W., & Schneider, G. (2011) · Nature Reviews Drug Discovery · doi:10.1038/nrd3591 · Cited by 2,041
“Commercial software packages are available that offer hundreds of descriptors of the molecular nature of mol ecules, and are often customized specifically to the type of molecule (for example, they can be specific for small compounds versus peptides and proteins) 142 .”
MethodBest Practices for QSAR Model Development, Validation, and Exploitation
Tropsha, A. (2010) · Molecular Informatics · doi:10.1002/minf.201000061 · Cited by 2,107
“…description of major tenets of QSAR modeling is beyond the scope of this paper; the overview of many popular QSAR modeling techniques including statistical and datamining techniques as well as approaches to descriptor calculations could be found in many reviews and monographs, e.g., [4,5] ).”
Method
Metadata
- Authors
- Todeschini, R., & Consonni, V.
- Venue
- Methods and Principles in Medicinal Chemistry
- Publisher
- Wiley
- Published
- 2000-09-22
- ISSN
- 1432-4636 (ISSN-L)
- 1865-0562
- OpenAlex
- W1545231783
- Cited by
- 4,107
- References
- 0
- Citations by year
- 2026: 55 · 2025: 93 · 2024: 145 · 2023: 149 · 2022: 143 · 2021: 201 · 2020: 183 · 2019: 177 · 2018: 163 · 2017: 176 · 2016: 191 · 2015: 171 · 2014: 170 · 2013: 188 · 2012: 231
- FWCI
- 32.85
- Type
- book
- Language
- en
- Open access
- closed
- Locations
- Methods and principles in medicinal chemistry (publishedVersion)
- BOA (University of Milano-Bicocca) (submittedVersion)
- Topics
- Physical Sciences › Mathematics › Discrete Mathematics and Combinatorics › Graph theory and applications
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Keywords
- molecular descriptors, topological indices, chemical graph theory
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