American Chemical Society (ACS)

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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
Efficient exact solution of the ring perception problem
American Chemical Society (ACS) - Tập 34 Số 4 - Trang 822-831 - 1994
Renzo Balducci, Robert S. Pearlman
On the Choice of Optimal Methodology for Calculation of 13C and 1H NMR Isotropic Chemical Shifts in Cagelike Systems. Case Studies of Adamantane, 2-Adamantanone, and 2,4-Methano-2,4-dehydroadamantane
American Chemical Society (ACS) - Tập 41 Số 6 - Trang 1478-1487 - 2001
Dražen Vikić‐Topić, Ljupčo Pejov
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
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
American Chemical Society (ACS) - Tập 28 Số 1 - Trang 31-36 - 1988
David Weininger
Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing
American Chemical Society (ACS) - Tập 35 Số 1 - Trang 77-84 - 1995
Jon M. Sutter, Dixon Simon, Peter C. Jurs
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
American Chemical Society (ACS) - Tập 41 Số 2 - Trang 233-245 - 2001
Jürgen Bajorath
Electrotopological State Indices for Atom Types: A Novel Combination of Electronic, Topological, and Valence State Information
American Chemical Society (ACS) - Tập 35 Số 6 - Trang 1039-1045 - 1995
Lowell H. Hall, Lemont B. Kier
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 Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
American Chemical Society (ACS) - Tập 36 Số 2 - Trang 334-344 - 1996
Jan Schuur, Paul M. Selzer, Johann Gasteiger
Tổng số: 54   
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