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Physical Sciences → Computer Science → Computational Theory and Mathematics

Computational Drug Discovery Methods

This cluster of papers focuses on computational methods, virtual screening, and molecular docking techniques used in drug discovery. It covers topics such as drug target identification, pharmacokinetics, chemical properties, machine learning applications, polypharmacology, and network pharmacology.

173.5K works worldwide3.1M citations
Molecular DockingVirtual ScreeningDrug Target IdentificationQSAR ModelingPharmacokineticsChemical PropertiesMachine LearningPolypharmacologyNetwork PharmacologyMedicinal Chemistry

Journals publishing in this area

1Journal of Medicinal Chemistry cover
Journal of Medicinal Chemistry
ISSN 0022-26232,546 articles in this topic
366h-index
2Scientific Reports cover
Scientific Reports
ISSN 2045-23221,886 articles in this topic
451h-index
3
Molecules
ISSN 1420-30491,793 articles in this topic
330h-index
4
International Journal of Molecular Sciences
ISSN 1422-00671,579 articles in this topic
409h-index
5Bioinformatics cover
Bioinformatics
ISSN 1367-48031,330 articles in this topic
564h-index
6European Journal of Medicinal Chemistry cover
European Journal of Medicinal Chemistry
ISSN 0223-52341,317 articles in this topic
233h-index
7Journal of Molecular Structure cover
Journal of Molecular Structure
ISSN 0022-28601,257 articles in this topic
208h-index
8Bioorganic & Medicinal Chemistry Letters cover
Bioorganic & Medicinal Chemistry Letters
ISSN 0960-894X1,235 articles in this topic
179h-index
9Bioorganic & Medicinal Chemistry cover
Bioorganic & Medicinal Chemistry
ISSN 0968-08961,074 articles in this topic
199h-index
10BMC Bioinformatics cover
BMC Bioinformatics
ISSN 1471-2105965 articles in this topic
311h-index
11Frontiers in Pharmacology cover
Frontiers in Pharmacology
ISSN 1663-9812938 articles in this topic
232h-index
12Journal of Computational Chemistry cover
Journal of Computational Chemistry
ISSN 0192-8651865 articles in this topic
281h-index
13Journal of Chemical Theory and Computation cover
Journal of Chemical Theory and Computation
ISSN 1549-9618775 articles in this topic
275h-index
14Proteins Structure Function and Bioinformatics cover
Proteins Structure Function and Bioinformatics
ISSN 0887-3585772 articles in this topic
260h-index
15ACS Omega cover
ACS Omega
ISSN 2470-1343729 articles in this topic
164h-index
16Journal of Pharmaceutical Sciences cover
Journal of Pharmaceutical Sciences
ISSN 0022-3549594 articles in this topic
275h-index
17Clinical Pharmacology & Therapeutics cover
Clinical Pharmacology & Therapeutics
ISSN 0009-9236499 articles in this topic
269h-index
18Nature Reviews Drug Discovery cover
Nature Reviews Drug Discovery
ISSN 1474-1776428 articles in this topic
469h-index
19PLoS Computational Biology cover
PLoS Computational Biology
ISSN 1553-734X424 articles in this topic
283h-index
20Neurobiology of Aging cover
Neurobiology of Aging
ISSN 0197-4580343 articles in this topic
264h-index
21Trends in Pharmacological Sciences cover
Trends in Pharmacological Sciences
ISSN 0165-6147312 articles in this topic
316h-index
22
BioMed Research International
ISSN 2314-6133302 articles in this topic
246h-index
23Heliyon cover
Heliyon
ISSN 2405-8440298 articles in this topic
172h-index
24
Pharmaceutical Research
ISSN 0724-8741275 articles in this topic
264h-index
25Protein Science cover
Protein Science
ISSN 0961-8368239 articles in this topic
249h-index
26Journal of Proteome Research cover
Journal of Proteome Research
ISSN 1535-3893166 articles in this topic
219h-index
27International Journal of Advanced Chemistry Research cover
International Journal of Advanced Chemistry Research
ISSN 2664-678113 articles in this topic
4h-index
28International Journal of Pharmaceutical Research and Development cover
International Journal of Pharmaceutical Research and Development
ISSN 2664-686212 articles in this topic
4h-index
29International Journal of Pharmacy and Pharmaceutical Science cover
International Journal of Pharmacy and Pharmaceutical Science
ISSN 2664-722210 articles in this topic
4h-index
30International Journal of Pharmaceutical and Clinical Research cover
International Journal of Pharmaceutical and Clinical Research
ISSN 2664-75917 articles in this topic
3h-index
31International Journal of Pharmacognosy and Pharmaceutical Sciences cover
International Journal of Pharmacognosy and Pharmaceutical Sciences
ISSN 2706-70096 articles in this topic
5h-index
32International Journal of Pharmacology and Clinical Research cover
International Journal of Pharmacology and Clinical Research
ISSN 2664-76136 articles in this topic
2h-index
33International Journal of Pharmacognosy and Pharmaceutical Research cover
International Journal of Pharmacognosy and Pharmaceutical Research
ISSN 2664-71684 articles in this topic
2h-index
34International Journal of Clinical Biology and Biochemistry cover
International Journal of Clinical Biology and Biochemistry
ISSN 2664-61882 articles in this topic
4h-index
35International Journal of Pharmacology and Pharmaceutical Research cover
International Journal of Pharmacology and Pharmaceutical Research
ISSN 2664-71842 articles in this topic
3h-index
36National Journal of Pharmaceutical Sciences cover
National Journal of Pharmaceutical Sciences
ISSN 2788-92622 articles in this topic
3h-index
37International Journal of Pharmaceutical Sciences and Drug Analysis cover
International Journal of Pharmaceutical Sciences and Drug Analysis
ISSN 2788-92461 articles in this topic
2h-index
38Journal of Ayurveda and Naturopathy cover
Journal of Ayurveda and Naturopathy
ISSN 3078-62821 articles in this topic
1h-index
39Journal of Dravyaguna and Bhaishajya Vigyan cover
Journal of Dravyaguna and Bhaishajya Vigyan
ISSN 3078-77691 articles in this topic
1h-index
40Journal of Pharmacist and Hospital Pharmacy cover
Journal of Pharmacist and Hospital Pharmacy
ISSN 3079-05221 articles in this topic
1h-index