American Chemical Society (ACS)

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Quantitative Structure−Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network
American Chemical Society (ACS) - Tập 39 Số 3 - Trang 491-507 - 1999
John Tetteh, Takahiro Suzuki, E. Metcalfe, Sían Howells
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
American Chemical Society (ACS) - Tập 29 Số 3 - Trang 163-172 - 1989
Vellarkad N. Viswanadhan, Arup K. Ghose, Ganapathi R. Revankar, Roland K. Robins
SpecTool: a hypermedia toolkit for structure elucidation
American Chemical Society (ACS) - Tập 32 Số 4 - Trang 286-290 - 1992
Marc Cadisch, Margit Farkas, J. T. Clerc, Ernö Pretsch
Structure elucidation system using structural information from multisources: CHEMICS
American Chemical Society (ACS) - Tập 25 Số 3 - Trang 252-257 - 1985
Shin‐ichi Sasaki, Yoshihiro Kudo
Structure generation by reduction: a new strategy for computer-assisted structure elucidation
American Chemical Society (ACS) - Tập 28 Số 2 - Trang 87-93 - 1988
Bradley D. Christie, Morton E. Munk
CSEARCH: a computer program for identification of organic compounds and fully automated assignment of carbon-13 nuclear magnetic resonance spectra
American Chemical Society (ACS) - Tập 25 Số 2 - Trang 103-108 - 1985
Hermann Kalchhauser, Wolfgang Robien
Carbon-13 nuclear magnetic resonance spectral interpretation by a computerized substituent chemical shift method
American Chemical Society (ACS) - Tập 23 Số 4 - Trang 197-203 - 1983
H. N. Cheng, S. J. Ellingsen
Semiempirical Quantum Chemical Method and Artificial Neural Networks Applied for λmax Computation of Some Azo Dyes
American Chemical Society (ACS) - Tập 44 Số 6 - Trang 2047-2050 - 2004
Guozheng Li, Jie Yang, Haifeng Song, Shang-Sheng Yang, Wen-Cong Lu, Nianyi Chen
Infrared Spectra Information and Their Correlation with QSAR Descriptors
American Chemical Society (ACS) - Tập 39 Số 3 - Trang 558-562 - 1999
Romualdo Benigni, Laura Passerini, David J. Livingstone, Mark A. Johnson, Alessandro Giuliani
The Signature Molecular Descriptor. 4. Canonizing Molecules Using Extended Valence Sequences
American Chemical Society (ACS) - Tập 44 Số 2 - Trang 427-436 - 2004
Jean‐Loup Faulon, Michael J. Collins, Robert D. Carr
Tổng số: 54   
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