Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
about
Hierarchical docking of databases of multiple ligand conformationsComputational methods in drug discoveryA novel method for mining highly imbalanced high-throughput screening data in PubChem.Physiochemical property space distribution among human metabolites, drugs and toxins.An integrated drug-likeness study for bicyclic privileged structures: from physicochemical properties to in vitro ADME properties.Discrimination of approved drugs from experimental drugs by learning methodsGlobal analysis of large-scale chemical and biological experiments.DrugMint: a webserver for predicting and designing of drug-like molecules.Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates.SVM Based Descriptor Selection and Classification of Neurodegenerative Disease Drugs for Pharmacological Modeling.Computational models to predict aqueous drug solubility, permeability and intestinal absorption.De novo design: balancing novelty and confined chemical space.Ligand efficiency indices for effective drug discovery.Computational Analysis of the Domain Architecture and Substrate-Gating Mechanism of Prolyl Oligopeptidases from Shewanella woodyi and Identification of Probable Lead Molecules.Computational analysis of the domain architecture and substrate-gating mechanism of prolyl oligopeptidases from Shewanella woodyi and identification probable lead molecules.FAF-Drugs: free ADME/tox filtering of compound collections.A comparative study on the molecular descriptors for predicting drug-likeness of small molecules.Exploring insights for virulent gene inhibition of multidrug resistant Salmonella typhi, Vibrio cholerae, and Staphylococcus areus by potential phytoligands via in silico screening.Nanoparticle Fullerene (C60) demonstrated stable binding with antibacterial potential towards probable targets of drug resistant Salmonella typhi - a computational perspective and in vitro investigation.Designing quantitative structure activity relationships to predict specific toxic endpoints for polybrominated diphenyl ethers in mammalian cells.Computer-Assisted Structure ElucidationUnderstanding drug-likenessIn Silico Methods for the Analysis of Metabolites and Drug Molecules
P2860
Q24538548-20F7BD80-A1C5-4B87-9CA3-9D37DE599FE2Q26997089-210155C9-8ADD-4898-B4FF-CEC1B4AA27C7Q33510308-B0863B53-6D16-4C17-9B41-6A4D11E35527Q33517179-4BB950F1-D7A7-411C-9484-554576450C16Q33888168-67B894BB-ED83-4A19-AB25-7EDE57D7618FQ33899201-976009B2-4343-4F80-AC5F-79574EF726BCQ34314326-1E9E10CA-C50D-435A-BC2E-5A3DC2F5AC77Q35031360-3A6A9588-2DE1-4F1C-B215-475E580097ACQ36043183-C869B9DB-9658-413C-BEB7-6407898D46B0Q36092174-A2C5253F-8545-4494-9032-7696811A45F5Q36544868-82E0655F-4238-4113-99DD-754FE0F32C86Q38029143-FA63F9E9-86B4-4144-8DD9-E78185D4636BQ40228492-B9A5D928-6D14-40AF-B02F-66EC2F1B7F6AQ41038065-1EFE7087-6CE5-4F6E-8B38-9D03F33DC6EDQ41462578-9F16663F-2D78-4AD8-B7CD-380F7E243CE2Q42553799-56D9BA88-B171-49A7-AF69-85DDD282E4B8Q43068223-52DC24E2-9DF8-4E14-B3E4-706289620C48Q44274602-0CF7C6C0-207B-4696-B4FB-4B0DC74FDFB3Q49959760-5BA91F43-9A4D-4790-8846-89F1048F68F0Q50457546-D55FC07D-6D90-443B-9097-8128ABD7B794Q56604069-3035B396-2288-4394-AEDB-E320489A56B9Q57016955-70D5255C-9891-4D63-B601-07CECCF5FF12Q57440747-F262130F-0C0E-450F-BCE7-17FC450C1F62
P2860
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
description
2000 nî lūn-bûn
@nan
2000年の論文
@ja
2000年学术文章
@wuu
2000年学术文章
@zh
2000年学术文章
@zh-cn
2000年学术文章
@zh-hans
2000年学术文章
@zh-my
2000年学术文章
@zh-sg
2000年學術文章
@yue
2000年學術文章
@zh-hant
name
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@en
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@nl
type
label
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@en
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@nl
prefLabel
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@en
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@nl
P2093
P356
P1476
Improving the odds in discriminating "drug-like" from "non drug-like" compounds.
@en
P2093
Frimurer TM
Lauritsen LN
P304
P356
10.1021/CI0003810
P50
P577
2000-11-01T00:00:00Z