Molecular identification number for substructure searches
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Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and BioinformaticsIdentification of semicarbazones, thiosemicarbazones and triazine nitriles as inhibitors of Leishmania mexicana cysteine protease CPBCombinatorial informatics in the post-genomics ERA.A new method to estimate ligand-receptor energetics.Visualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.Indexing molecules with chemical graph identifiers.In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach.Recent advances in fragment-based QSAR and multi-dimensional QSAR methods.Optimizing the macrocyclic diterpenic core toward the reversal of multidrug resistance in cancer.Automated identification of crystallographic ligands using sparse-density representations.Prediction of PKCθ inhibitory activity using the Random Forest Algorithm.The Compressed Feature Matrix--a novel descriptor for adaptive similarity search.Quantitative structure-activity relationship and classification analysis of diaryl ureas against vascular endothelial growth factor receptor-2 kinase using linear and non-linear models.Development of Predictive QSAR Models of 4-Thiazolidinones Antitrypanosomal Activity using Modern Machine Learning Algorithms.On the interpretation and interpretability of quantitative structure-activity relationship models.Chemical Descriptors Are More Important Than Learning Algorithms for Modelling.Can topological indices transmit information on properties but not on structures?Development predictive QSAR models for artemisinin analogues by various feature selection methods: a comparative study.A consistent dataset of kinetic solubilities for early-phase drug discovery.Modeling the excitation wavelengths (lambda(ex)) of boronic acids.Rigorous Selection of Random Forest Models for Identifying Compounds that Activate Toxicity-Related Pathways
P2860
Q27065423-385d3fa5-4aa8-d206-618e-46086a2b6eddQ28534433-CA0B49B7-FEA4-4373-A344-BCD36BC7CC29Q31096793-41E5F15E-DE94-423D-8E2C-C6A2D42925D1Q33185485-3336FF6B-EB4D-461C-AF9C-D72B446F8CB3Q33913583-70437BC4-935C-4ADB-AF53-71E230DE9F62Q33925477-FAF2D04D-A085-47AF-9E56-232F18A6685BQ36088290-901C77B3-6844-4FA0-BCCF-943165706BD6Q37820219-5ABF9572-1163-43B5-9A0A-0E6AEC30F9F2Q38877337-DD8C0829-DAFE-4DB3-BDDE-9220B9474EB9Q42111041-AE552BF3-D9D5-4D70-A312-EF3AFC9096DBQ42409150-17F89139-1BCF-43C8-9E52-318738F64A25Q44362552-A16B7FF7-C966-46AA-8EA1-BA6720DF403DQ45918832-A05F94D0-EE13-4220-95AB-E9F838921DDFQ45943914-16EB6571-1178-44A2-80C0-5BE4417FB783Q46375027-20FE0DC0-0D2A-4C98-8359-B8AFAB65B8C6Q50782847-050F525A-FBCC-4226-881B-FDF31AE88CA7Q51309798-5A20210E-884C-4F8C-BF8A-3FF15889BE12Q51507826-5C846742-C135-40D0-93E5-95DA57292FDAQ51813494-F2F8E168-4715-4589-9900-8766C9145898Q51890645-84AA9B4A-5524-41AD-AD70-D87AB6CCE84FQ57898160-FC6A2141-81B8-40DE-A286-DFEA890A18AE
P2860
Molecular identification number for substructure searches
description
1989 nî lūn-bûn
@nan
1989 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
1989 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
1989年の論文
@ja
1989年論文
@yue
1989年論文
@zh-hant
1989年論文
@zh-hk
1989年論文
@zh-mo
1989年論文
@zh-tw
1989年论文
@wuu
name
Molecular identification number for substructure searches
@ast
Molecular identification number for substructure searches
@en
type
label
Molecular identification number for substructure searches
@ast
Molecular identification number for substructure searches
@en
prefLabel
Molecular identification number for substructure searches
@ast
Molecular identification number for substructure searches
@en
P356
P1476
Molecular identification number for substructure searches
@en
P2093
Frank R. Burden
P304
P356
10.1021/CI00063A011
P577
1989-08-01T00:00:00Z