On the public citation graph
A Novel Subshape Molecular Descriptor
0 signed · 41 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/jcc.540160107openalex-snapshot
Geometric molecular similarity from volume‐based distance minimization: Application to saxitoxin and tetrodotoxin
inferredcites →https://doi.org/10.1002/prot.340110104openalex-snapshot
Functionality maps of binding sites: A multiple copy simultaneous search method
inferredcites →https://doi.org/10.1021/ci00022a012openalex-snapshot
Chemical Function Queries for 3D Database Search
inferredcites →https://doi.org/10.1021/ci0255026openalex-snapshot
A Novel Shape-Feature Based Approach to Virtual Library Screening
inferredcites →https://doi.org/10.1021/ci960108ropenalex-snapshot
Three-Dimensional Shape-Based Searching of Conformationally Flexible Compounds
inferredcites →https://doi.org/10.1021/ci980213wopenalex-snapshot
Quadratic Shape Descriptors. 1. Rapid Superposition of Dissimilar Molecules Using Geometrically Invariant Surface Descriptors
inferredcites →https://doi.org/10.1021/ci990272popenalex-snapshot
Partial Molecular Alignment via Local Structure Analysis
inferredcites →https://doi.org/10.1021/jm981037lopenalex-snapshot
F lex S: A Method for Fast Flexible Ligand Superposition
inferredcites →https://doi.org/10.1023/a:1008194019144openalex-snapshot
Computational methods for the structural alignment of molecules
inferredcites →https://doi.org/10.1107/s0567739476001873openalex-snapshot
A solution for the best rotation to relate two sets of vectors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/jcc.20066openalex-snapshot
Application of ab initio theory to QSAR study of 1,4‐dihydropyridine‐based calcium channel blockers using GA‐MLR and PC‐GA‐ANN procedures
inferred← citeshttps://doi.org/10.1002/jcc.20437openalex-snapshot
Accurate prediction of the blood–brain partitioning of a large set of solutes usingab initiocalculations and genetic neural network modeling
inferred← citeshttps://doi.org/10.1002/qsar.200330852openalex-snapshot
Quantum Chemical‐QSAR Study of Some Newly Synthesized 1,4‐Dihydropyridine Calcium Channel Blockers
inferred← citeshttps://doi.org/10.1002/qsar.200710093openalex-snapshot
DFT‐Based QSAR Study of Valproic Acid and its Derivatives
inferred← citeshttps://doi.org/10.1002/qsar.200860124openalex-snapshot
Density Functional Theory‐based Quantitative Structure Activity Relationship (QSAR) Study of Alkanol and Alkanthiol Derivatives
inferred← citeshttps://doi.org/10.1007/s00706-011-0541-3openalex-snapshot
QSAR study of anthranilic acid sulfonamides as methionine aminopeptidase-2 inhibitors
inferred← citeshttps://doi.org/10.1007/s00894-009-0512-3openalex-snapshot
DFT-based QSAR study of alkanols and alkanthiols using the conductor-like polarizable continuum model (CPCM)
inferred← citeshttps://doi.org/10.1007/s10822-006-9085-8openalex-snapshot
Feature-map vectors: a new class of informative descriptors for computational drug discovery
inferred← citeshttps://doi.org/10.1007/s10822-012-9561-2openalex-snapshot
Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: application of QSAR methods based on the MOLMAP approach
inferred← citeshttps://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferred← citeshttps://doi.org/10.1016/j.ejmech.2008.10.022openalex-snapshot
Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives
inferred← citeshttps://doi.org/10.1016/j.ejmech.2009.11.019openalex-snapshot
Modeling the antileishmanial activity screening of 5-nitro-2-heterocyclic benzylidene hydrazides using different chemometrics methods
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.03.016openalex-snapshot
Novel DOCK clique driven 3D similarity database search tools for molecule shape matching and beyond: Adding flexibility to the search for ligand kin
inferred← citeshttps://doi.org/10.1016/s1359-6446(04)02939-3openalex-snapshot
Novel technologies for virtual screening
inferred← citeshttps://doi.org/10.1021/ci050021iopenalex-snapshot
Comparing the Performance of FLUFF-BALL to SEAL-CoMFA with a Large Diverse Estrogen Data Set: From Relevant Superpositions to Solid Predictions
inferred← citeshttps://doi.org/10.1021/ci900507gopenalex-snapshot
Comparative Evaluation of 3D Virtual Ligand Screening Methods: Impact of the Molecular Alignment on Enrichment
inferred← citeshttps://doi.org/10.1021/jm049066lopenalex-snapshot
Conformation Mining: An Algorithm for Finding Biologically Relevant Conformations
inferred← citeshttps://doi.org/10.1039/b409813gopenalex-snapshot
Molecular similarity: a key technique in molecular informatics
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00597.xopenalex-snapshot
Research article: QSAR Study of Phenoxypyrimidine Derivatives as Potent Inhibitors of p38 Kinase Using different Chemometric Tools
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2011.01284.xopenalex-snapshot
QSAR Study of 4‐Aryl‐4H‐Chromenes as a New Series of Apoptosis Inducers Using Different Chemometric Tools
inferred← citeshttps://doi.org/10.1134/s1070363210120248openalex-snapshot
Computational methods and software in computer-aided combinatorial library design
inferred← citeshttps://doi.org/10.1134/s1990793117020130openalex-snapshot
Ab initio and QSAR study of several etoposides as anticancer drugs: Solvent effect
inferred← citeshttps://doi.org/10.1134/s199079312109013xopenalex-snapshot
Monte Carlo Method and a Novel Modelling-Optimization Approach on QSAR Study of Doxazolidine Drugs and DNA-Binding
inferred← citeshttps://doi.org/10.17678/beuscitech.47133openalex-snapshot
Quantitative structure activity relationships of cytotoxicity effect on various cancer cells of some imidazo[1,2-?]pyrazine derivatives
inferred← citeshttps://doi.org/10.18698/2541-8009-2017-7-120openalex-snapshot
Output of organic compound synthesis route from its structural formula
inferred← citeshttps://doi.org/10.3390/ijms9122407openalex-snapshot
QSAR Study of Antimicrobial 3-Hydroxypyridine-4-one and 3-Hydroxypyran-4-one Derivatives Using Different Chemometric Tools
inferred← citeshttps://doi.org/10.5012/jkcs.2016.60.4.225openalex-snapshot
A DFT and QSAR Study of Several Sulfonamide Derivatives in Gas and Solvent
inferred← citeshttps://doi.org/10.5194/gmd-10-2365-2017openalex-snapshot
STRAPS v1.0: evaluating a methodology for predicting electron impact ionisation mass spectra for the aerosol mass spectrometer
inferred← citeshttps://doi.org/10.9734/jpri/2019/v31i530314openalex-snapshot
QSAR, Docking Study of Isatin Analogues as Anti-bacterial Agents for Design New Compounds
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.