Papers from the Sixth International Conference on Chemical Structures, Noordwijkerhout, The Netherlands, June 2002
about
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and BioinformaticsCombination of fingerprint-based similarity coefficients using data fusion.Evaluation of an experimental chemistry preprint server.Optimizing the size and configuration of combinatorial libraries.An atlas of forecasted molecular data. 1. Internuclear separations of main-group and transition-metal neutral gas-phase diatomic molecules in the ground state.Efficient generation, storage, and manipulation of fully flexible pharmacophore multiplets and their use in 3-D similarity searching.Prediction of aqueous solubility of organic compounds based on a 3D structure representation.Pharmacophore modeling as an efficient tool in the discovery of novel noncompetitive AMPA receptor antagonists.Similarity metrics for ligands reflecting the similarity of the target proteins.Searching for patterns of amino acids in 3D protein structures.On a four-dimensional representation of DNA primary sequences.Active learning with support vector machines in the drug discovery process.Sixth International Conference on Chemical StructuresAssessing model fit by cross-validation.A chemical class-based approach to predictive model generation.Tuning neural and fuzzy-neural networks for toxicity modeling.Modeling toxicity by using supervised kohonen neural networks.Comparison of ranking methods for virtual screening in lead-discovery programs.Evaluation of similarity measures for searching the dictionary of natural products database.Further development of reduced graphs for identifying bioactive compounds.Version of zones and zigzag structure in icosahedral fullerenes and icosadeltahedra.Fast calculation of quantum chemical molecular descriptors from the electronegativity equalization method.
P1433
Q27061829-f7c4d68e-4ba7-e079-c131-86c670a97957Q30779338-374c1016-484f-c057-8862-e5604be5c6baQ30903030-5d9604e2-4c71-d348-1926-25f9f67137b4Q31136115-7b3fdd69-4b8c-4c13-d3e3-da8fbe4ec8b3Q33186484-8cfab6c5-41cd-57a0-1b4a-38839c4cdc24Q38452708-121cc792-4d4c-d8db-a075-7bcb8fadf137Q38452717-199971b3-4dad-ec0f-0523-fc5230ec645eQ40598596-6428f92f-43d1-d6ec-9a6d-6776aa6055bbQ44373337-89fa7b64-4fb5-effe-5a23-257aba9404e6Q44373340-5c0a7b0d-4b02-d783-57d5-6e5c7fe8c0d4Q44373345-86913457-4531-4afc-7b6f-638016955f37Q45967032-c330c412-499b-3785-d611-8c3ba2dba87cQ47501426-460c57b6-4b1d-d466-51a0-3ee04b510f0eQ48017733-1b27e830-43b8-7945-056a-084ef76a041fQ48017744-fdbe9ef6-4300-42d0-5571-6b2e1556220dQ48017768-aea970e5-45dc-79e6-6ae1-bf2fac110214Q48017777-9b350d71-4e10-fdba-31cc-2d1555d61859Q48017793-a3f131e3-405e-366e-ffdf-b6164a92e8a9Q48017814-03f0ca5b-464b-b69a-d37f-481e2554e6ceQ48017849-5f9790a8-49a2-a7b3-19f6-cfbc7f56e48fQ48724624-f2ff31a6-44c4-4d09-6932-eb40d46d3e1cQ49032145-24b6a1d7-4ff7-a1f1-f7ec-34f7183b1295
P1433
Papers from the Sixth International Conference on Chemical Structures, Noordwijkerhout, The Netherlands, June 2002
description
proceedings
@en
name
Papers from the Sixth Internat ...... ut, The Netherlands, June 2002
@en
type
label
Papers from the Sixth Internat ...... ut, The Netherlands, June 2002
@en
prefLabel
Papers from the Sixth Internat ...... ut, The Netherlands, June 2002
@en
P1476
Papers from the Sixth Internat ...... ut, The Netherlands, June 2002
@en
P31
P577
2003-03-01T00:00:00Z