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On using graph-equivalent classes for the structure elucidation of large molecules
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inferred← citeshttps://doi.org/10.1002/chin.199247278openalex-snapshot
ChemInform Abstract: Using Graph‐Equivalent Classes for the Structure Elucidation of Large Molecules.
inferred← citeshttps://doi.org/10.1002/mats.200500049openalex-snapshot
Random Computer Generation of 3D Molecular Structures: Theoretical and Statistical Analysis
inferred← citeshttps://doi.org/10.1002/minf.200900038openalex-snapshot
Exhaustive Structure Generation for Inverse‐QSPR/QSAR
inferred← citeshttps://doi.org/10.1002/qsar.200510009openalex-snapshot
Data and Graph Mining in Chemical Space for ADME and Activity Data Sets
inferred← citeshttps://doi.org/10.1007/978-3-030-76787-7_10openalex-snapshot
Labeled Graphs in Life Sciences—Two Important Applications
inferred← citeshttps://doi.org/10.1007/s10631-005-0039-9openalex-snapshot
Generation of Molecular Graphs for QSAR Studies
inferred← citeshttps://doi.org/10.1007/s10822-005-9007-1openalex-snapshot
Reverse engineering chemical structures from molecular descriptors: how many solutions?
inferred← citeshttps://doi.org/10.1007/s10822-016-9916-1openalex-snapshot
Ring system-based chemical graph generation for de novo molecular design
inferred← citeshttps://doi.org/10.1016/0003-2670(94)90044-2openalex-snapshot
Principles for structure generation of organic isomers from molecular formula
inferred← citeshttps://doi.org/10.1016/0166-1280(95)04329-6openalex-snapshot
Enumeration of constitutional isomers of polyenes
inferred← citeshttps://doi.org/10.1016/0166-218x(95)00009-gopenalex-snapshot
Generation of molecular graphs based on flexible utilization of the available structural information
inferred← citeshttps://doi.org/10.1016/0378-3820(93)90070-kopenalex-snapshot
A computer-aided molecular model for high volatile bituminous coal
inferred← citeshttps://doi.org/10.1016/0927-0256(94)00074-mopenalex-snapshot
Computer-aided structure elucidation for arylene-bridged polysilsesquioxanes
inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00144-9openalex-snapshot
Developing a methodology for an inverse quantitative structure-activity relationship using the signature molecular descriptor
inferred← citeshttps://doi.org/10.1021/ci020346oopenalex-snapshot
The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences
inferred← citeshttps://doi.org/10.1021/ci0504521openalex-snapshot
Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor
inferred← citeshttps://doi.org/10.1021/ci3001748openalex-snapshot
Lattice Enumeration for Inverse Molecular Design Using the Signature Descriptor
inferred← citeshttps://doi.org/10.1021/ci950179aopenalex-snapshot
Stochastic Generator of Chemical Structure. 2. Using Simulated Annealing To Search the Space of Constitutional Isomers
inferred← citeshttps://doi.org/10.1021/ef960121dopenalex-snapshot
Computer-Aided Construction of Coal Molecular Structure Using Construction Knowledge and Partial Structure Evaluation
inferred← citeshttps://doi.org/10.1063/1.5088083openalex-snapshot
The chemical space of B, N-substituted polycyclic aromatic hydrocarbons: Combinatorial enumeration and high-throughput first-principles modeling
inferred← citeshttps://doi.org/10.1137/s0097539797318864openalex-snapshot
Randomly Sampling Molecules
inferred← citeshttps://doi.org/10.1186/s13321-022-00604-9openalex-snapshot
Surge: a fast open-source chemical graph generator
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1008504openalex-snapshot
Chemical graph generators
inferred← citeshttps://doi.org/10.1541/ieejeiss1987.118.9_1355openalex-snapshot
Construction of Coal Molecular Structure by Genetic Algorithm
inferred← citeshttps://doi.org/10.2172/984085openalex-snapshot
Signature molecular descriptor : advanced applications.
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